3,7-dimethyloct-6-ene-2,3-diol

C10H20O2 — CID 15856966

IUPAC3,7-dimethyloct-6-ene-2,3-diol
SMILESCC(C)=CCCC(C)(O)C(C)O
InChIInChI=1S/C10H20O2/c1-8(2)6-5-7-10(4,12)9(3)11/h6,9,11-12H,5,7H2,1-4H3
InChIKeyOFWIVPOTUIPUIY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds4

About 3,7-dimethyloct-6-ene-2,3-diol

3,7-dimethyloct-6-ene-2,3-diol (PubChem CID 15856966) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,7-dimethyloct-6-ene-2,3-diol.

Molecular Properties

Compound Name3,7-dimethyloct-6-ene-2,3-diol
PubChem CID15856966
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,7-dimethyloct-6-ene-2,3-diol
SMILESCC(C)=CCCC(C)(O)C(C)O
InChIInChI=1S/C10H20O2/c1-8(2)6-5-7-10(4,12)9(3)11/h6,9,11-12H,5,7H2,1-4H3
InChIKeyOFWIVPOTUIPUIY-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-ene-2,3-diol?
The IUPAC name of 3,7-dimethyloct-6-ene-2,3-diol (CID 15856966) is 3,7-dimethyloct-6-ene-2,3-diol.
What is the SMILES notation for 3,7-dimethyloct-6-ene-2,3-diol?
The canonical SMILES for 3,7-dimethyloct-6-ene-2,3-diol is CC(C)=CCCC(C)(O)C(C)O.
What is the InChIKey of 3,7-dimethyloct-6-ene-2,3-diol?
The InChIKey is OFWIVPOTUIPUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)6-5-7-10(4,12)9(3)11/h6,9,11-12H,5,7H2,1-4H3.
What are the key properties of 3,7-dimethyloct-6-ene-2,3-diol?
3,7-dimethyloct-6-ene-2,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-ene-2,3-diol is sourced from PubChem (CID 15856966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).