2-(2-methylpropyl)undecan-1-ol

C15H32O — CID 66059386

IUPAC2-(2-methylpropyl)undecan-1-ol
SMILESCCCCCCCCCC(CO)CC(C)C
InChIInChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-15(13-16)12-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyGNPISRHXZYZCFG-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.78
Rot. Bonds11

About 2-(2-methylpropyl)undecan-1-ol

2-(2-methylpropyl)undecan-1-ol (PubChem CID 66059386) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-(2-methylpropyl)undecan-1-ol.

Molecular Properties

Compound Name2-(2-methylpropyl)undecan-1-ol
PubChem CID66059386
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name2-(2-methylpropyl)undecan-1-ol
SMILESCCCCCCCCCC(CO)CC(C)C
InChIInChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-15(13-16)12-14(2)3/h14-16H,4-13H2,1-3H3
InChIKeyGNPISRHXZYZCFG-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.78
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-methylpropyl)heptan-1-ol
CID 66058548
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-pentadecylpropane-1,3-diol
CID 91351654
2-nonylundecan-1-ol
CID 14397092
2-(2-pentyloctyl)butane-1,4-diol
CID 174851829
(2R)-2-heptylbutane-1,4-diol
CID 129405629
(2S)-2-octylbutane-1,4-diol
CID 71417147
4-ethyl-2-methyldecane
CID 19893744

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)undecan-1-ol?
The IUPAC name of 2-(2-methylpropyl)undecan-1-ol (CID 66059386) is 2-(2-methylpropyl)undecan-1-ol.
What is the SMILES notation for 2-(2-methylpropyl)undecan-1-ol?
The canonical SMILES for 2-(2-methylpropyl)undecan-1-ol is CCCCCCCCCC(CO)CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)undecan-1-ol?
The InChIKey is GNPISRHXZYZCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-15(13-16)12-14(2)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)undecan-1-ol?
2-(2-methylpropyl)undecan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)undecan-1-ol is sourced from PubChem (CID 66059386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).