6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol

C119H234O7 — CID 162837992

IUPAC6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C1CCC(O)C(C)(CCCC(C)CCCC(C)CCCC(C)C)O1)C1CCC(C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2CCC(C(C)(O)CCCC(C)CCCC(C)CCCC(C)C)O2)O1
InChIInChI=1S/C119H234O7/c1-90(2)48-30-54-96(13)60-36-66-102(19)72-42-78-109(124-117(27,87-45-75-105(22)69-39-63-99(16)57-33-51-93(7)8)114-82-80-110(120)116(26,125-114)86-44-74-104(21)68-38-62-98(15)56-32-50-92(5)6)108-79-81-112(122-108)118(28,88-46-76-106(23)70-40-64-100(17)58-34-52-94(9)10)126-119(29,89-47-77-107(24)71-41-65-101(18)59-35-53-95(11)12)113-84-83-111(123-113)115(25,121)85-43-73-103(20)67-37-61-97(14)55-31-49-91(3)4/h90-114,120-121H,30-89H2,1-29H3
InChIKeyXSXLWLPYYAUIAQ-UHFFFAOYSA-N
MW1777.17 g/mol
LogP37.44
Rot. Bonds81

About 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol

6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol (PubChem CID 162837992) has the molecular formula C119H234O7 and a molecular weight of 1777.17 g/mol. Its IUPAC name is 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol.

Molecular Properties

Compound Name6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol
PubChem CID162837992
Molecular FormulaC119H234O7
Molecular Weight1777.17 g/mol
Exact Mass1775.80
IUPAC Name6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C1CCC(O)C(C)(CCCC(C)CCCC(C)CCCC(C)C)O1)C1CCC(C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2CCC(C(C)(O)CCCC(C)CCCC(C)CCCC(C)C)O2)O1
InChIInChI=1S/C119H234O7/c1-90(2)48-30-54-96(13)60-36-66-102(19)72-42-78-109(124-117(27,87-45-75-105(22)69-39-63-99(16)57-33-51-93(7)8)114-82-80-110(120)116(26,125-114)86-44-74-104(21)68-38-62-98(15)56-32-50-92(5)6)108-79-81-112(122-108)118(28,88-46-76-106(23)70-40-64-100(17)58-34-52-94(9)10)126-119(29,89-47-77-107(24)71-41-65-101(18)59-35-53-95(11)12)113-84-83-111(123-113)115(25,121)85-43-73-103(20)67-37-61-97(14)55-31-49-91(3)4/h90-114,120-121H,30-89H2,1-29H3
InChIKeyXSXLWLPYYAUIAQ-UHFFFAOYSA-N
XLogP37.44
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds81
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001777.17
LogP ≤ 537.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol?
The IUPAC name of 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol (CID 162837992) is 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol.
What is the SMILES notation for 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol?
The canonical SMILES for 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol is CC(C)CCCC(C)CCCC(C)CCCC(OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C1CCC(O)C(C)(CCCC(C)CCCC(C)CCCC(C)C)O1)C1CCC(C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2CCC(C(C)(O)CCCC(C)CCCC(C)CCCC(C)C)O2)O1.
What is the InChIKey of 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol?
The InChIKey is XSXLWLPYYAUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H234O7/c1-90(2)48-30-54-96(13)60-36-66-102(19)72-42-78-109(124-117(27,87-45-75-105(22)69-39-63-99(16)57-33-51-93(7)8)114-82-80-110(120)116(26,125-114)86-44-74-104(21)68-38-62-98(15)56-32-50-92(5)6)108-79-81-112(122-108)118(28,88-46-76-106(23)70-40-64-100(17)58-34-52-94(9)10)126-119(29,89-47-77-107(24)71-41-65-101(18)59-35-53-95(11)12)113-84-83-111(123-113)115(25,121)85-43-73-103(20)67-37-61-97(14)55-31-49-91(3)4/h90-114,120-121H,30-89H2,1-29H3.
What are the key properties of 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol?
6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol has a molecular weight of 1777.17 g/mol, XLogP of 37.44, 81 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-[5-[2-[2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-5,9,13-trimethyltetradecoxy]-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-ol is sourced from PubChem (CID 162837992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).