ethane;5-methylhexan-2-ol

C11H28O — CID 144624886

IUPACethane;5-methylhexan-2-ol
SMILESCC.CC.CC(C)CCC(C)O
InChIInChI=1S/C7H16O.2C2H6/c1-6(2)4-5-7(3)8;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyJMCMXFBGTMFCHZ-UHFFFAOYSA-N
MW176.34 g/mol
LogP3.86
Rot. Bonds3

About ethane;5-methylhexan-2-ol

ethane;5-methylhexan-2-ol (PubChem CID 144624886) has the molecular formula C11H28O and a molecular weight of 176.34 g/mol. Its IUPAC name is ethane;5-methylhexan-2-ol.

Molecular Properties

Compound Nameethane;5-methylhexan-2-ol
PubChem CID144624886
Molecular FormulaC11H28O
Molecular Weight176.34 g/mol
Exact Mass176.21
IUPAC Nameethane;5-methylhexan-2-ol
SMILESCC.CC.CC(C)CCC(C)O
InChIInChI=1S/C7H16O.2C2H6/c1-6(2)4-5-7(3)8;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyJMCMXFBGTMFCHZ-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;hexane-2,5-diol
CID 143963822
pentadecane-2,5,8,11,14-pentol
CID 175190041
10-methylundecane-2,6-diol
CID 88681561
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
(5R)-5-aminohexan-2-ol
CID 144692574
6-methylheptane-2,3-diol
CID 57080591
acetic acid;hexane-2,5-diol
CID 71365730
(2R)-pentan-2-ol
CID 7014876
butane-1,3-diol
CID 159666523
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921
(2S)-2-amino-5-methylhexane-1,1-diol
CID 134578683
5-hydroxy-2-methylhexanoic acid
CID 19873756

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylhexan-2-ol?
The IUPAC name of ethane;5-methylhexan-2-ol (CID 144624886) is ethane;5-methylhexan-2-ol.
What is the SMILES notation for ethane;5-methylhexan-2-ol?
The canonical SMILES for ethane;5-methylhexan-2-ol is CC.CC.CC(C)CCC(C)O.
What is the InChIKey of ethane;5-methylhexan-2-ol?
The InChIKey is JMCMXFBGTMFCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.2C2H6/c1-6(2)4-5-7(3)8;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of ethane;5-methylhexan-2-ol?
ethane;5-methylhexan-2-ol has a molecular weight of 176.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylhexan-2-ol is sourced from PubChem (CID 144624886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).