(2S)-6-methyl-2-propan-2-ylheptan-1-ol

C11H24O — CID 167319814

IUPAC(2S)-6-methyl-2-propan-2-ylheptan-1-ol
SMILESCC(C)CCC[C@H](CO)C(C)C
InChIInChI=1S/C11H24O/c1-9(2)6-5-7-11(8-12)10(3)4/h9-12H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyVSDPGLFQRBQDKR-LLVKDONJSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds6

About (2S)-6-methyl-2-propan-2-ylheptan-1-ol

(2S)-6-methyl-2-propan-2-ylheptan-1-ol (PubChem CID 167319814) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (2S)-6-methyl-2-propan-2-ylheptan-1-ol.

Molecular Properties

Compound Name(2S)-6-methyl-2-propan-2-ylheptan-1-ol
PubChem CID167319814
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(2S)-6-methyl-2-propan-2-ylheptan-1-ol
SMILESCC(C)CCC[C@H](CO)C(C)C
InChIInChI=1S/C11H24O/c1-9(2)6-5-7-11(8-12)10(3)4/h9-12H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyVSDPGLFQRBQDKR-LLVKDONJSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
2-(4-methylpentyl)propane-1,3-diol
CID 83169762
2,14-dimethyl-7,9-di(propan-2-yl)pentadecane
CID 158451501
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
(2S)-2-propan-2-ylhexane-1,5-diol
CID 10888208
CID 172712223
CID 172712223
(2R)-3-methyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 122598637
2,13-dimethyl-4-propan-2-yltetradecane
CID 140816601
3-methyl-2-[[methyl(3-methylbutyl)amino]methyl]butan-1-ol
CID 115252113
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
5,5-dimethyl-2-propan-2-ylhexan-1-ol
CID 66057517
5-(hydroxymethyl)-6-methylheptanimidamide
CID 54357871

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-2-propan-2-ylheptan-1-ol?
The IUPAC name of (2S)-6-methyl-2-propan-2-ylheptan-1-ol (CID 167319814) is (2S)-6-methyl-2-propan-2-ylheptan-1-ol.
What is the SMILES notation for (2S)-6-methyl-2-propan-2-ylheptan-1-ol?
The canonical SMILES for (2S)-6-methyl-2-propan-2-ylheptan-1-ol is CC(C)CCC[C@H](CO)C(C)C.
What is the InChIKey of (2S)-6-methyl-2-propan-2-ylheptan-1-ol?
The InChIKey is VSDPGLFQRBQDKR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24O/c1-9(2)6-5-7-11(8-12)10(3)4/h9-12H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (2S)-6-methyl-2-propan-2-ylheptan-1-ol?
(2S)-6-methyl-2-propan-2-ylheptan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2-propan-2-ylheptan-1-ol is sourced from PubChem (CID 167319814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).