(Z)-3-methylhex-3-ene-1,6-diol

C7H14O2 — CID 129322397

IUPAC(Z)-3-methylhex-3-ene-1,6-diol
SMILESC/C(=C/CCO)CCO
InChIInChI=1S/C7H14O2/c1-7(4-6-9)3-2-5-8/h3,8-9H,2,4-6H2,1H3/b7-3-
InChIKeyVILWHBHXQVYUEE-CLTKARDFSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds4

About (Z)-3-methylhex-3-ene-1,6-diol

(Z)-3-methylhex-3-ene-1,6-diol (PubChem CID 129322397) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (Z)-3-methylhex-3-ene-1,6-diol.

Molecular Properties

Compound Name(Z)-3-methylhex-3-ene-1,6-diol
PubChem CID129322397
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(Z)-3-methylhex-3-ene-1,6-diol
SMILESC/C(=C/CCO)CCO
InChIInChI=1S/C7H14O2/c1-7(4-6-9)3-2-5-8/h3,8-9H,2,4-6H2,1H3/b7-3-
InChIKeyVILWHBHXQVYUEE-CLTKARDFSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-methyldec-3-en-1-ol
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(E)-3-methyldec-3-en-1-ol
CID 6428571
(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(Z)-7-hydroxy-5-methylhept-4-enoic acid
CID 175085361
(E)-3-methyloct-3-en-7-yn-1-ol
CID 11457729
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
6-chlorohexan-1-ol;(Z)-3-methyloct-3-en-1-ol
CID 21326788
4-ethyl-8,12-dimethyltrideca-3,7,11-trien-1-ol
CID 156748576
(Z)-3-methylpent-3-en-1-ol
CID 12576400
3-methylpent-2-ene-1,5-diol;propanoic acid
CID 71447026

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylhex-3-ene-1,6-diol?
The IUPAC name of (Z)-3-methylhex-3-ene-1,6-diol (CID 129322397) is (Z)-3-methylhex-3-ene-1,6-diol.
What is the SMILES notation for (Z)-3-methylhex-3-ene-1,6-diol?
The canonical SMILES for (Z)-3-methylhex-3-ene-1,6-diol is C/C(=C/CCO)CCO.
What is the InChIKey of (Z)-3-methylhex-3-ene-1,6-diol?
The InChIKey is VILWHBHXQVYUEE-CLTKARDFSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(4-6-9)3-2-5-8/h3,8-9H,2,4-6H2,1H3/b7-3-.
What are the key properties of (Z)-3-methylhex-3-ene-1,6-diol?
(Z)-3-methylhex-3-ene-1,6-diol has a molecular weight of 130.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylhex-3-ene-1,6-diol is sourced from PubChem (CID 129322397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).