2-methylocta-1,6-diene-3,5-diol

C9H16O2 — CID 173315140

IUPAC2-methylocta-1,6-diene-3,5-diol
SMILESC=C(C)C(O)CC(O)C=CC
InChIInChI=1S/C9H16O2/c1-4-5-8(10)6-9(11)7(2)3/h4-5,8-11H,2,6H2,1,3H3
InChIKeyWUIJXAYSHZRCJD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds4

About 2-methylocta-1,6-diene-3,5-diol

2-methylocta-1,6-diene-3,5-diol (PubChem CID 173315140) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methylocta-1,6-diene-3,5-diol.

Molecular Properties

Compound Name2-methylocta-1,6-diene-3,5-diol
PubChem CID173315140
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methylocta-1,6-diene-3,5-diol
SMILESC=C(C)C(O)CC(O)C=CC
InChIInChI=1S/C9H16O2/c1-4-5-8(10)6-9(11)7(2)3/h4-5,8-11H,2,6H2,1,3H3
InChIKeyWUIJXAYSHZRCJD-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
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 2-methylocta-1,6-diene-3,5-diol?
The IUPAC name of 2-methylocta-1,6-diene-3,5-diol (CID 173315140) is 2-methylocta-1,6-diene-3,5-diol.
What is the SMILES notation for 2-methylocta-1,6-diene-3,5-diol?
The canonical SMILES for 2-methylocta-1,6-diene-3,5-diol is C=C(C)C(O)CC(O)C=CC.
What is the InChIKey of 2-methylocta-1,6-diene-3,5-diol?
The InChIKey is WUIJXAYSHZRCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-8(10)6-9(11)7(2)3/h4-5,8-11H,2,6H2,1,3H3.
What are the key properties of 2-methylocta-1,6-diene-3,5-diol?
2-methylocta-1,6-diene-3,5-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-1,6-diene-3,5-diol is sourced from PubChem (CID 173315140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).