(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene

C12H22O — CID 101263092

IUPAC(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene
SMILESC=CC(C)/C(=C\OC)CCCCC
InChIInChI=1S/C12H22O/c1-5-7-8-9-12(10-13-4)11(3)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/b12-10-
InChIKeyCMLDCIDUPQAEAO-BENRWUELSA-N
MW182.31 g/mol
LogP3.92
Rot. Bonds7

About (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene

(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene (PubChem CID 101263092) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene
PubChem CID101263092
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene
SMILESC=CC(C)/C(=C\OC)CCCCC
InChIInChI=1S/C12H22O/c1-5-7-8-9-12(10-13-4)11(3)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/b12-10-
InChIKeyCMLDCIDUPQAEAO-BENRWUELSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene 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

2-Isobutyl-4-methyldihydropyran
CID 129792224
[(E)-2-methoxyethenyl]cyclohexane
CID 12552145
[(Z)-2-methoxyethenyl]cyclohexane
CID 12552146
2-Methoxyethenylcyclohexane
CID 57065092
Isodecenol
CID 88198804
Isotridecanolen
CID 129629040
Isodecanolen
CID 129629055
1-Ethoxy-4-methyl-1-nonene
CID 3023475
1-Ethoxy-4-methylnon-1-ene
CID 6366398
(4Z)-4-(methoxymethylidene)non-1-ene
CID 11423812
(5Z)-5-(methoxymethylidene)dec-1-ene
CID 12130290
(6Z)-6-(methoxymethylidene)undec-1-ene
CID 12130291

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene?
The IUPAC name of (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene (CID 101263092) is (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene?
The canonical SMILES for (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene is C=CC(C)/C(=C\OC)CCCCC.
What is the InChIKey of (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene?
The InChIKey is CMLDCIDUPQAEAO-BENRWUELSA-N. The full InChI is InChI=1S/C12H22O/c1-5-7-8-9-12(10-13-4)11(3)6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/b12-10-.
What are the key properties of (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene?
(4Z)-4-(methoxymethylidene)-3-methylnon-1-ene has a molecular weight of 182.31 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)-3-methylnon-1-ene is sourced from PubChem (CID 101263092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).