(3Z)-3-ethylidene-5-methoxyhex-1-ene

C9H16O — CID 145145637

IUPAC(3Z)-3-ethylidene-5-methoxyhex-1-ene
SMILESC=C/C(=C\C)CC(C)OC
InChIInChI=1S/C9H16O/c1-5-9(6-2)7-8(3)10-4/h5-6,8H,1,7H2,2-4H3/b9-6+
InChIKeyKPCFWFPXUWAXEO-RMKNXTFCSA-N
MW140.23 g/mol
LogP2.54
Rot. Bonds4

About (3Z)-3-ethylidene-5-methoxyhex-1-ene

(3Z)-3-ethylidene-5-methoxyhex-1-ene (PubChem CID 145145637) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5-methoxyhex-1-ene.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5-methoxyhex-1-ene
PubChem CID145145637
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3Z)-3-ethylidene-5-methoxyhex-1-ene
SMILESC=C/C(=C\C)CC(C)OC
InChIInChI=1S/C9H16O/c1-5-9(6-2)7-8(3)10-4/h5-6,8H,1,7H2,2-4H3/b9-6+
InChIKeyKPCFWFPXUWAXEO-RMKNXTFCSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-6-ethenyl-8-methoxynona-3,5-diene
CID 143338030
4-ethenylhexa-1,4-diene
CID 85441048
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524
(4R)-4-methoxypentan-2-one
CID 10749159
(3S)-3-methoxybutanoic acid
CID 51374275
(3Z)-4-ethenyl-6-methylocta-1,3,7-triene
CID 145342446
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane
CID 178167922
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5-methoxyhex-1-ene?
The IUPAC name of (3Z)-3-ethylidene-5-methoxyhex-1-ene (CID 145145637) is (3Z)-3-ethylidene-5-methoxyhex-1-ene.
What is the SMILES notation for (3Z)-3-ethylidene-5-methoxyhex-1-ene?
The canonical SMILES for (3Z)-3-ethylidene-5-methoxyhex-1-ene is C=C/C(=C\C)CC(C)OC.
What is the InChIKey of (3Z)-3-ethylidene-5-methoxyhex-1-ene?
The InChIKey is KPCFWFPXUWAXEO-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H16O/c1-5-9(6-2)7-8(3)10-4/h5-6,8H,1,7H2,2-4H3/b9-6+.
What are the key properties of (3Z)-3-ethylidene-5-methoxyhex-1-ene?
(3Z)-3-ethylidene-5-methoxyhex-1-ene has a molecular weight of 140.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5-methoxyhex-1-ene is sourced from PubChem (CID 145145637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).