(E)-2-methylhept-5-ene-1,4-diol

C8H16O2 — CID 10606868

IUPAC(E)-2-methylhept-5-ene-1,4-diol
SMILESC/C=C/C(O)CC(C)CO
InChIInChI=1S/C8H16O2/c1-3-4-8(10)5-7(2)6-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyKVHITMISPHQZPW-ONEGZZNKSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds4

About (E)-2-methylhept-5-ene-1,4-diol

(E)-2-methylhept-5-ene-1,4-diol (PubChem CID 10606868) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E)-2-methylhept-5-ene-1,4-diol.

Molecular Properties

Compound Name(E)-2-methylhept-5-ene-1,4-diol
PubChem CID10606868
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E)-2-methylhept-5-ene-1,4-diol
SMILESC/C=C/C(O)CC(C)CO
InChIInChI=1S/C8H16O2/c1-3-4-8(10)5-7(2)6-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyKVHITMISPHQZPW-ONEGZZNKSA-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'}

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Related Compounds

pent-3-ene-1,2-diol;hydrochloride
CID 141276135
(2Z,4S,6R)-6,10-dimethylundeca-2,9-dien-4-ol
CID 139824549
2,4-dimethylpentane-1,5-diol
CID 10964552
(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
7-butoxy-6-methylhept-2-en-4-ol
CID 54035964
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(E)-hex-4-en-3-ol
CID 5366234
non-2-ene-4,6-diol
CID 91115138
2-methylocta-1,6-diene-3,5-diol
CID 173315140
6-methyl-7-phenylmethoxyhept-2-en-4-ol
CID 57213229
(E)-non-7-ene-2,6-diol
CID 87908692
tris(but-2-enyl)-(3-hydroxy-2-methylpropyl)azanium
CID 57062260

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylhept-5-ene-1,4-diol?
The IUPAC name of (E)-2-methylhept-5-ene-1,4-diol (CID 10606868) is (E)-2-methylhept-5-ene-1,4-diol.
What is the SMILES notation for (E)-2-methylhept-5-ene-1,4-diol?
The canonical SMILES for (E)-2-methylhept-5-ene-1,4-diol is C/C=C/C(O)CC(C)CO.
What is the InChIKey of (E)-2-methylhept-5-ene-1,4-diol?
The InChIKey is KVHITMISPHQZPW-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-8(10)5-7(2)6-9/h3-4,7-10H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-2-methylhept-5-ene-1,4-diol?
(E)-2-methylhept-5-ene-1,4-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-5-ene-1,4-diol is sourced from PubChem (CID 10606868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).