2,7,7-trimethylnonan-3-ol

C12H26O — CID 162360269

IUPAC2,7,7-trimethylnonan-3-ol
SMILESCCC(C)(C)CCCC(O)C(C)C
InChIInChI=1S/C12H26O/c1-6-12(4,5)9-7-8-11(13)10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKeyCLEBZBVNNSKTLC-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds6

About 2,7,7-trimethylnonan-3-ol

2,7,7-trimethylnonan-3-ol (PubChem CID 162360269) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,7,7-trimethylnonan-3-ol.

Molecular Properties

Compound Name2,7,7-trimethylnonan-3-ol
PubChem CID162360269
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,7,7-trimethylnonan-3-ol
SMILESCCC(C)(C)CCCC(O)C(C)C
InChIInChI=1S/C12H26O/c1-6-12(4,5)9-7-8-11(13)10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKeyCLEBZBVNNSKTLC-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,7-Dimethyl-1-octanol
CID 7792
3,3,5-Trimethylcyclohexanol
CID 8298
2-Butyl-1-octanol
CID 19800
3,7-Dimethyl-1,7-octanediol
CID 249494
4-tert-Butylcyclohexanol
CID 7391
1-Cyclohexylethanol
CID 137829
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Propyl-1-heptanol
CID 24847
Cyclohexanol, 4-(1,1-dimethylpropyl)-
CID 79302
2-tert-Butylcyclohexanol
CID 26068
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601

Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethylnonan-3-ol?
The IUPAC name of 2,7,7-trimethylnonan-3-ol (CID 162360269) is 2,7,7-trimethylnonan-3-ol.
What is the SMILES notation for 2,7,7-trimethylnonan-3-ol?
The canonical SMILES for 2,7,7-trimethylnonan-3-ol is CCC(C)(C)CCCC(O)C(C)C.
What is the InChIKey of 2,7,7-trimethylnonan-3-ol?
The InChIKey is CLEBZBVNNSKTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-12(4,5)9-7-8-11(13)10(2)3/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2,7,7-trimethylnonan-3-ol?
2,7,7-trimethylnonan-3-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethylnonan-3-ol is sourced from PubChem (CID 162360269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).