2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol

C20H42O — CID 129034366

IUPAC2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
SMILESCC(C)(C)CCCCCC(CO)CCCCCC(C)(C)C
InChIInChI=1S/C20H42O/c1-19(2,3)15-11-7-9-13-18(17-21)14-10-8-12-16-20(4,5)6/h18,21H,7-17H2,1-6H3
InChIKeyBUMBJXOXNSYSIU-UHFFFAOYSA-N
MW298.55 g/mol
LogP6.59
Rot. Bonds11

About 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol

2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol (PubChem CID 129034366) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol.

Molecular Properties

Compound Name2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
PubChem CID129034366
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
SMILESCC(C)(C)CCCCCC(CO)CCCCCC(C)(C)C
InChIInChI=1S/C20H42O/c1-19(2,3)15-11-7-9-13-18(17-21)14-10-8-12-16-20(4,5)6/h18,21H,7-17H2,1-6H3
InChIKeyBUMBJXOXNSYSIU-UHFFFAOYSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
(2R)-7-(diethylamino)-2-(3,3-dimethylbutyl)heptan-1-ol
CID 118887579
(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol
CID 118887577
2-amino-6,6-dimethylheptan-1-ol
CID 88746496
2-nonylundecan-1-ol
CID 14397092
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-pentyltridecan-1-ol
CID 19896300
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate
CID 118887574
ethanol;2-heptylnonan-1-ol
CID 122482877

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol?
The IUPAC name of 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol (CID 129034366) is 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol.
What is the SMILES notation for 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol?
The canonical SMILES for 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol is CC(C)(C)CCCCCC(CO)CCCCCC(C)(C)C.
What is the InChIKey of 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol?
The InChIKey is BUMBJXOXNSYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-19(2,3)15-11-7-9-13-18(17-21)14-10-8-12-16-20(4,5)6/h18,21H,7-17H2,1-6H3.
What are the key properties of 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol?
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol has a molecular weight of 298.55 g/mol, XLogP of 6.59, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol is sourced from PubChem (CID 129034366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).