6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene

C14H24O — CID 19780776

IUPAC6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene
SMILESC=C(CCC1C(C)=CCCC1(C)C)OC
InChIInChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7,13H,2,6,8-10H2,1,3-5H3
InChIKeyWJLZJHRHIHQHAK-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.31
Rot. Bonds4

About 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene

6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene (PubChem CID 19780776) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene
PubChem CID19780776
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene
SMILESC=C(CCC1C(C)=CCCC1(C)C)OC
InChIInChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7,13H,2,6,8-10H2,1,3-5H3
InChIKeyWJLZJHRHIHQHAK-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene 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-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
4-(1-Methoxyethenyl)-1,2-dimethylcyclohexene
CID 13208451
1-Methoxy-3-oct-1-en-2-ylcyclohexene
CID 176427824
Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
6-(2,2,3-Trimethylcyclopent-3-enyl)-1-oxaspiro[2.5]oct-5-ene
CID 24771795
(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
CID 11095466
1-Methoxy-3,3-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexene
CID 12003841
(4R)-1-methoxy-3,3-dimethyl-2,4-bis(3-methylbut-2-enyl)cyclohexene
CID 53259839
(4S)-1-methoxy-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexene
CID 53259840
(4aS,8S)-6-methoxy-8-methyl-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulene
CID 134837860
6-(Methoxymethyl)-1,4,5,6-tetramethylcyclohexene
CID 134866239
gold(1+);(1S)-1-(2-methoxyprop-2-enyl)-2-propylidenecyclohexane
CID 137279623

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene (CID 19780776) is 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene is C=C(CCC1C(C)=CCCC1(C)C)OC.
What is the InChIKey of 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene?
The InChIKey is WJLZJHRHIHQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-8-12(2)15-5/h7,13H,2,6,8-10H2,1,3-5H3.
What are the key properties of 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene?
6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene has a molecular weight of 208.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxybut-3-enyl)-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 19780776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).