(E)-2-methylhept-4-ene-1,3-diol

C8H16O2 — CID 14758919

IUPAC(E)-2-methylhept-4-ene-1,3-diol
SMILESCC/C=C/C(O)C(C)CO
InChIInChI=1S/C8H16O2/c1-3-4-5-8(10)7(2)6-9/h4-5,7-10H,3,6H2,1-2H3/b5-4+
InChIKeyRZELJGIDLYRUSE-SNAWJCMRSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds4

About (E)-2-methylhept-4-ene-1,3-diol

(E)-2-methylhept-4-ene-1,3-diol (PubChem CID 14758919) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-2-methylhept-4-ene-1,3-diol.

Molecular Properties

Compound Name(E)-2-methylhept-4-ene-1,3-diol
PubChem CID14758919
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-2-methylhept-4-ene-1,3-diol
SMILESCC/C=C/C(O)C(C)CO
InChIInChI=1S/C8H16O2/c1-3-4-5-8(10)7(2)6-9/h4-5,7-10H,3,6H2,1-2H3/b5-4+
InChIKeyRZELJGIDLYRUSE-SNAWJCMRSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methylhept-4-ene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
hept-4-ene-2,3-diol
CID 54484674
2-methylhept-4-en-3-ol
CID 54499499
(Z)-2-methylhex-3-en-1-ol
CID 15174591
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
3-methylhept-4-en-2-ol
CID 90779417
2-ethylhex-3-en-1-ol
CID 543244
octa-3,5-dien-2-ol
CID 543636
(E,3R)-hept-4-en-3-ol
CID 11007865
1-chloropent-2-en-1-ol
CID 141457215
(E)-2-(methylamino)hex-3-en-1-ol
CID 144566486
N-[(E,2S,3R)-1,3-dihydroxyhept-4-en-2-yl]pentanamide
CID 87945455

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylhept-4-ene-1,3-diol?
The IUPAC name of (E)-2-methylhept-4-ene-1,3-diol (CID 14758919) is (E)-2-methylhept-4-ene-1,3-diol.
What is the SMILES notation for (E)-2-methylhept-4-ene-1,3-diol?
The canonical SMILES for (E)-2-methylhept-4-ene-1,3-diol is CC/C=C/C(O)C(C)CO.
What is the InChIKey of (E)-2-methylhept-4-ene-1,3-diol?
The InChIKey is RZELJGIDLYRUSE-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-8(10)7(2)6-9/h4-5,7-10H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-2-methylhept-4-ene-1,3-diol?
(E)-2-methylhept-4-ene-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylhept-4-ene-1,3-diol is sourced from PubChem (CID 14758919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).