15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol

C75H152O — CID 139255014

IUPAC15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
SMILESCC(C)CCCC(CCCC(C)C)CCCC(CCCC(CCO)CCCC(CCCC(CCCC(C)C)CCCC(C)C)CCCC(CCCC(C)C)CCCC(C)C)CCCC(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C75H152O/c1-61(2)31-17-39-69(40-18-32-62(3)4)47-25-51-73(52-26-48-70(41-19-33-63(5)6)42-20-34-64(7)8)55-29-57-75(59-60-76)58-30-56-74(53-27-49-71(43-21-35-65(9)10)44-22-36-66(11)12)54-28-50-72(45-23-37-67(13)14)46-24-38-68(15)16/h61-76H,17-60H2,1-16H3
InChIKeyUXPANBUWMSNPIE-UHFFFAOYSA-N
MW1070.04 g/mol
LogP26.31
Rot. Bonds58

About 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol

15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol (PubChem CID 139255014) has the molecular formula C75H152O and a molecular weight of 1070.04 g/mol. Its IUPAC name is 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol.

Molecular Properties

Compound Name15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
PubChem CID139255014
Molecular FormulaC75H152O
Molecular Weight1070.04 g/mol
Exact Mass1069.18
IUPAC Name15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol
SMILESCC(C)CCCC(CCCC(C)C)CCCC(CCCC(CCO)CCCC(CCCC(CCCC(C)C)CCCC(C)C)CCCC(CCCC(C)C)CCCC(C)C)CCCC(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C75H152O/c1-61(2)31-17-39-69(40-18-32-62(3)4)47-25-51-73(52-26-48-70(41-19-33-63(5)6)42-20-34-64(7)8)55-29-57-75(59-60-76)58-30-56-74(53-27-49-71(43-21-35-65(9)10)44-22-36-66(11)12)54-28-50-72(45-23-37-67(13)14)46-24-38-68(15)16/h61-76H,17-60H2,1-16H3
InChIKeyUXPANBUWMSNPIE-UHFFFAOYSA-N
XLogP26.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds58
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.04
LogP ≤ 526.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol with MolForge

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Related Compounds

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CID 101391197
3,7-dimethyloctan-1-ol;ethanol
CID 175190567
sodium;hydride;8-methylnonan-1-ol
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8-ethyl-4-(2-hydroxyethyl)dodecane-1,12-diol
CID 170925289
tris(3,7-dimethyloctan-1-ol);oxotungsten
CID 11181447
calcium;hydride;3-methylbutan-1-ol
CID 174734037
sodium;hydride;3-methylbutan-1-ol
CID 173128134
4-methylpentan-1-ol;titanium;dihydrate
CID 175523375
3-pentylundecan-1-ol
CID 118576679

Frequently Asked Questions

What is the IUPAC name of 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol?
The IUPAC name of 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol (CID 139255014) is 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol.
What is the SMILES notation for 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol?
The canonical SMILES for 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol is CC(C)CCCC(CCCC(C)C)CCCC(CCCC(CCO)CCCC(CCCC(CCCC(C)C)CCCC(C)C)CCCC(CCCC(C)C)CCCC(C)C)CCCC(CCCC(C)C)CCCC(C)C.
What is the InChIKey of 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol?
The InChIKey is UXPANBUWMSNPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H152O/c1-61(2)31-17-39-69(40-18-32-62(3)4)47-25-51-73(52-26-48-70(41-19-33-63(5)6)42-20-34-64(7)8)55-29-57-75(59-60-76)58-30-56-74(53-27-49-71(43-21-35-65(9)10)44-22-36-66(11)12)54-28-50-72(45-23-37-67(13)14)46-24-38-68(15)16/h61-76H,17-60H2,1-16H3.
What are the key properties of 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol?
15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol has a molecular weight of 1070.04 g/mol, XLogP of 26.31, 58 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-3-[12-methyl-4-[8-methyl-4-(4-methylpentyl)nonyl]-8-(4-methylpentyl)tridecyl]-7-[8-methyl-4-(4-methylpentyl)nonyl]-11-(4-methylpentyl)hexadecan-1-ol is sourced from PubChem (CID 139255014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).