2,6-dimethylhept-6-ene-2,3-diol

C9H18O2 — CID 71332386

IUPAC2,6-dimethylhept-6-ene-2,3-diol
SMILESC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C9H18O2/c1-7(2)5-6-8(10)9(3,4)11/h8,10-11H,1,5-6H2,2-4H3
InChIKeyOSTJSCLDWFZDSA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.47
Rot. Bonds4

About 2,6-dimethylhept-6-ene-2,3-diol

2,6-dimethylhept-6-ene-2,3-diol (PubChem CID 71332386) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,6-dimethylhept-6-ene-2,3-diol.

Molecular Properties

Compound Name2,6-dimethylhept-6-ene-2,3-diol
PubChem CID71332386
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,6-dimethylhept-6-ene-2,3-diol
SMILESC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C9H18O2/c1-7(2)5-6-8(10)9(3,4)11/h8,10-11H,1,5-6H2,2-4H3
InChIKeyOSTJSCLDWFZDSA-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7-Octadiene-3,6-diol, 2,6-dimethyl-
CID 548927
7-Methyl-3-methylene-1,6,7-octanetriol
CID 10607654
(3R,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
CID 11465741
(6E)-2,6,10-Trimethyldodeca-6,11-diene-2,3,10-triol
CID 14139796
(3S,6E,10S)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol
CID 10355067
(3S,6E,10E,14E,18E,22S)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
CID 162894420
(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
CID 11240729
2,3,22,23-Tetrahydroxy-2,6,10,15,19,23-hexamethyl-6,10,14,18-tetracosatetraene
CID 72972196
2-Methyl-6-methylene-7-octene-2,3-diol
CID 14733972
(3R,6S)-2,6-dimethylocta-1,7-diene-3,6-diol
CID 154495976
(3S,6E,10E,14E,18E,22R)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraene-2,3,22,23-tetrol
CID 162894418
7-Octene-2,3-diol, 2,6-dimethyl-
CID 3609265

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhept-6-ene-2,3-diol?
The IUPAC name of 2,6-dimethylhept-6-ene-2,3-diol (CID 71332386) is 2,6-dimethylhept-6-ene-2,3-diol.
What is the SMILES notation for 2,6-dimethylhept-6-ene-2,3-diol?
The canonical SMILES for 2,6-dimethylhept-6-ene-2,3-diol is C=C(C)CCC(O)C(C)(C)O.
What is the InChIKey of 2,6-dimethylhept-6-ene-2,3-diol?
The InChIKey is OSTJSCLDWFZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)5-6-8(10)9(3,4)11/h8,10-11H,1,5-6H2,2-4H3.
What are the key properties of 2,6-dimethylhept-6-ene-2,3-diol?
2,6-dimethylhept-6-ene-2,3-diol has a molecular weight of 158.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhept-6-ene-2,3-diol is sourced from PubChem (CID 71332386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).