9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol

C30H62O — CID 101391197

IUPAC9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol
SMILESCC(C)CCC(CCCC(CO)CCCC(CCC(C)C)CCC(C)C)CCC(C)C
InChIInChI=1S/C30H62O/c1-24(2)15-19-28(20-16-25(3)4)11-9-13-30(23-31)14-10-12-29(21-17-26(5)6)22-18-27(7)8/h24-31H,9-23H2,1-8H3
InChIKeyXPPONWXKHDMMFK-UHFFFAOYSA-N
MW438.83 g/mol
LogP9.91
Rot. Bonds21

About 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol

9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol (PubChem CID 101391197) has the molecular formula C30H62O and a molecular weight of 438.83 g/mol. Its IUPAC name is 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol.

Molecular Properties

Compound Name9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol
PubChem CID101391197
Molecular FormulaC30H62O
Molecular Weight438.83 g/mol
Exact Mass438.48
IUPAC Name9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol
SMILESCC(C)CCC(CCCC(CO)CCCC(CCC(C)C)CCC(C)C)CCC(C)C
InChIInChI=1S/C30H62O/c1-24(2)15-19-28(20-16-25(3)4)11-9-13-30(23-31)14-10-12-29(21-17-26(5)6)22-18-27(7)8/h24-31H,9-23H2,1-8H3
InChIKeyXPPONWXKHDMMFK-UHFFFAOYSA-N
XLogP9.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 59.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylpentyl)propane-1,3-diol
CID 83169762
5,9,13,17-tetramethyl-2-(3,7,11,15-tetramethylhexadecyl)octadecan-1-ol
CID 123449915
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
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
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-amine
CID 139249170
(5R)-2-methyl-5-propylnonane
CID 162842430
ethane;2-methyl-5-propylnonane
CID 171073854
2,8-dimethyl-5-propylnonane
CID 57014492
2-methyl-5-propyltridecane
CID 123255718
CID 172712223
CID 172712223
2-nonylundecan-1-ol
CID 14397092
2-tridecylheptadecan-1-ol
CID 22598247

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol?
The IUPAC name of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol (CID 101391197) is 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol.
What is the SMILES notation for 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol?
The canonical SMILES for 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol is CC(C)CCC(CCCC(CO)CCCC(CCC(C)C)CCC(C)C)CCC(C)C.
What is the InChIKey of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol?
The InChIKey is XPPONWXKHDMMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-24(2)15-19-28(20-16-25(3)4)11-9-13-30(23-31)14-10-12-29(21-17-26(5)6)22-18-27(7)8/h24-31H,9-23H2,1-8H3.
What are the key properties of 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol?
9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol has a molecular weight of 438.83 g/mol, XLogP of 9.91, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decan-1-ol is sourced from PubChem (CID 101391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).