(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol

C15H32O — CID 118887514

IUPAC(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol
SMILESCC(C)CCCC[C@H](CCO)CC(C)(C)C
InChIInChI=1S/C15H32O/c1-13(2)8-6-7-9-14(10-11-16)12-15(3,4)5/h13-14,16H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyNTGIYKCUCNYZBH-CQSZACIVSA-N
MW228.42 g/mol
LogP4.64
Rot. Bonds8

About (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol

(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol (PubChem CID 118887514) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol
PubChem CID118887514
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol
SMILESCC(C)CCCC[C@H](CCO)CC(C)(C)C
InChIInChI=1S/C15H32O/c1-13(2)8-6-7-9-14(10-11-16)12-15(3,4)5/h13-14,16H,6-12H2,1-5H3/t14-/m1/s1
InChIKeyNTGIYKCUCNYZBH-CQSZACIVSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.64
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

(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
(3S)-7-(dimethylamino)-3-(2,2-dimethylpropyl)heptan-1-ol
CID 118887513
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
2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
(3S)-3-(2,2-dimethylpropyl)-8-(4-methylpiperazin-1-yl)octan-1-ol
CID 118887623
methyl (5S)-5-(2-hydroxyethyl)-7,7-dimethyloctanoate
CID 118887519
(3S)-3-(2,2-dimethylpropyl)-8-(4-ethylpiperazin-1-yl)octan-1-ol
CID 118887619
sodium;hydride;8-methylnonan-1-ol
CID 175362951
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
(4R)-2,2,4,8-tetramethylnonane
CID 140612986
5-tert-butyldecane;4-tert-butyl-2,6-dimethylheptane;9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane
CID 157410601
CID 172760633
CID 172760633

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol?
The IUPAC name of (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol (CID 118887514) is (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol.
What is the SMILES notation for (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol?
The canonical SMILES for (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol is CC(C)CCCC[C@H](CCO)CC(C)(C)C.
What is the InChIKey of (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol?
The InChIKey is NTGIYKCUCNYZBH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32O/c1-13(2)8-6-7-9-14(10-11-16)12-15(3,4)5/h13-14,16H,6-12H2,1-5H3/t14-/m1/s1.
What are the key properties of (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol?
(3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylpropyl)-8-methylnonan-1-ol is sourced from PubChem (CID 118887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).