2,7-dimethyloct-6-ene-1,2-diol

C10H20O2 — CID 10654785

IUPAC2,7-dimethyloct-6-ene-1,2-diol
SMILESCC(C)=CCCCC(C)(O)CO
InChIInChI=1S/C10H20O2/c1-9(2)6-4-5-7-10(3,12)8-11/h6,11-12H,4-5,7-8H2,1-3H3
InChIKeyHZHVVOJXHVKDJL-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds5

About 2,7-dimethyloct-6-ene-1,2-diol

2,7-dimethyloct-6-ene-1,2-diol (PubChem CID 10654785) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,7-dimethyloct-6-ene-1,2-diol.

Molecular Properties

Compound Name2,7-dimethyloct-6-ene-1,2-diol
PubChem CID10654785
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,7-dimethyloct-6-ene-1,2-diol
SMILESCC(C)=CCCCC(C)(O)CO
InChIInChI=1S/C10H20O2/c1-9(2)6-4-5-7-10(3,12)8-11/h6,11-12H,4-5,7-8H2,1-3H3
InChIKeyHZHVVOJXHVKDJL-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
(3R)-3,8-dimethyl-3-(methylamino)non-7-en-2-one
CID 89053063
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
2,7-dimethyl-2-prop-1-en-2-yloct-6-enoic acid
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5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
(3R)-2,9-dimethyldec-8-ene-2,3-diol
CID 134855668
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
5-methylhex-4-ene-1-thiol
CID 123779789

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-6-ene-1,2-diol?
The IUPAC name of 2,7-dimethyloct-6-ene-1,2-diol (CID 10654785) is 2,7-dimethyloct-6-ene-1,2-diol.
What is the SMILES notation for 2,7-dimethyloct-6-ene-1,2-diol?
The canonical SMILES for 2,7-dimethyloct-6-ene-1,2-diol is CC(C)=CCCCC(C)(O)CO.
What is the InChIKey of 2,7-dimethyloct-6-ene-1,2-diol?
The InChIKey is HZHVVOJXHVKDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)6-4-5-7-10(3,12)8-11/h6,11-12H,4-5,7-8H2,1-3H3.
What are the key properties of 2,7-dimethyloct-6-ene-1,2-diol?
2,7-dimethyloct-6-ene-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-6-ene-1,2-diol is sourced from PubChem (CID 10654785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).