6-methylhept-6-ene-1,3-diol

C8H16O2 — CID 11378564

IUPAC6-methylhept-6-ene-1,3-diol
SMILESC=C(C)CCC(O)CCO
InChIInChI=1S/C8H16O2/c1-7(2)3-4-8(10)5-6-9/h8-10H,1,3-6H2,2H3
InChIKeySTKQGTQJSZNJKY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.09
Rot. Bonds5

About 6-methylhept-6-ene-1,3-diol

6-methylhept-6-ene-1,3-diol (PubChem CID 11378564) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6-methylhept-6-ene-1,3-diol.

Molecular Properties

Compound Name6-methylhept-6-ene-1,3-diol
PubChem CID11378564
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6-methylhept-6-ene-1,3-diol
SMILESC=C(C)CCC(O)CCO
InChIInChI=1S/C8H16O2/c1-7(2)3-4-8(10)5-6-9/h8-10H,1,3-6H2,2H3
InChIKeySTKQGTQJSZNJKY-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.09
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 6-methylhept-6-ene-1,3-diol?
The IUPAC name of 6-methylhept-6-ene-1,3-diol (CID 11378564) is 6-methylhept-6-ene-1,3-diol.
What is the SMILES notation for 6-methylhept-6-ene-1,3-diol?
The canonical SMILES for 6-methylhept-6-ene-1,3-diol is C=C(C)CCC(O)CCO.
What is the InChIKey of 6-methylhept-6-ene-1,3-diol?
The InChIKey is STKQGTQJSZNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)3-4-8(10)5-6-9/h8-10H,1,3-6H2,2H3.
What are the key properties of 6-methylhept-6-ene-1,3-diol?
6-methylhept-6-ene-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-6-ene-1,3-diol is sourced from PubChem (CID 11378564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).