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

C10H20O2 — CID 90936137

IUPAC3,7-dimethyloct-7-ene-2,6-diol
SMILESC=C(C)C(O)CCC(C)C(C)O
InChIInChI=1S/C10H20O2/c1-7(2)10(12)6-5-8(3)9(4)11/h8-12H,1,5-6H2,2-4H3
InChIKeyKPMLIWJCSMBBFQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds5

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

3,7-dimethyloct-7-ene-2,6-diol (PubChem CID 90936137) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,7-dimethyloct-7-ene-2,6-diol.

Molecular Properties

Compound Name3,7-dimethyloct-7-ene-2,6-diol
PubChem CID90936137
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3,7-dimethyloct-7-ene-2,6-diol
SMILESC=C(C)C(O)CCC(C)C(C)O
InChIInChI=1S/C10H20O2/c1-7(2)10(12)6-5-8(3)9(4)11/h8-12H,1,5-6H2,2-4H3
InChIKeyKPMLIWJCSMBBFQ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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-7-ene-2,6-diol?
The IUPAC name of 3,7-dimethyloct-7-ene-2,6-diol (CID 90936137) is 3,7-dimethyloct-7-ene-2,6-diol.
What is the SMILES notation for 3,7-dimethyloct-7-ene-2,6-diol?
The canonical SMILES for 3,7-dimethyloct-7-ene-2,6-diol is C=C(C)C(O)CCC(C)C(C)O.
What is the InChIKey of 3,7-dimethyloct-7-ene-2,6-diol?
The InChIKey is KPMLIWJCSMBBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)10(12)6-5-8(3)9(4)11/h8-12H,1,5-6H2,2-4H3.
What are the key properties of 3,7-dimethyloct-7-ene-2,6-diol?
3,7-dimethyloct-7-ene-2,6-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-7-ene-2,6-diol is sourced from PubChem (CID 90936137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).