(2S,3R)-3-methylhept-6-en-2-ol

C8H16O — CID 135021271

IUPAC(2S,3R)-3-methylhept-6-en-2-ol
SMILESC=CCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m1/s1
InChIKeyZEWJFQRAPALZPS-SFYZADRCSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds4

About (2S,3R)-3-methylhept-6-en-2-ol

(2S,3R)-3-methylhept-6-en-2-ol (PubChem CID 135021271) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (2S,3R)-3-methylhept-6-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-methylhept-6-en-2-ol
PubChem CID135021271
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(2S,3R)-3-methylhept-6-en-2-ol
SMILESC=CCC[C@@H](C)[C@H](C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m1/s1
InChIKeyZEWJFQRAPALZPS-SFYZADRCSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
6-Hepten-1-ol, 2-methyl-
CID 565262
4-Ethyloct-1-en-3-ol
CID 93920
5-Methyl-1-hepten-4-ol
CID 145341
alpha-Methylcyclohex-3-ene-1-methanol
CID 12544072
4-Methyl-6-hepten-3-ol
CID 547700
3,7-Dimethyloct-6-en-2-ol
CID 85677
3-Methyloct-7-en-2-ol
CID 10351801
(4S)-4-Methylhex-5-en-1-ol
CID 13119644
(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
CID 162946531
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974269

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methylhept-6-en-2-ol?
The IUPAC name of (2S,3R)-3-methylhept-6-en-2-ol (CID 135021271) is (2S,3R)-3-methylhept-6-en-2-ol.
What is the SMILES notation for (2S,3R)-3-methylhept-6-en-2-ol?
The canonical SMILES for (2S,3R)-3-methylhept-6-en-2-ol is C=CCC[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-methylhept-6-en-2-ol?
The InChIKey is ZEWJFQRAPALZPS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-3-methylhept-6-en-2-ol?
(2S,3R)-3-methylhept-6-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methylhept-6-en-2-ol is sourced from PubChem (CID 135021271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).