2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene

C14H22O — CID 70252232

IUPAC2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene
SMILESCOC[C@@H](C)C/C=C/C1=CC(C)CC=C1
InChIInChI=1S/C14H22O/c1-12-6-4-8-14(10-12)9-5-7-13(2)11-15-3/h4-5,8-10,12-13H,6-7,11H2,1-3H3/b9-5+/t12?,13-/m0/s1
InChIKeyUOSZLANRTQGRGV-HTHCYZJQSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds5

About 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene

2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene (PubChem CID 70252232) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene
PubChem CID70252232
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene
SMILESCOC[C@@H](C)C/C=C/C1=CC(C)CC=C1
InChIInChI=1S/C14H22O/c1-12-6-4-8-14(10-12)9-5-7-13(2)11-15-3/h4-5,8-10,12-13H,6-7,11H2,1-3H3/b9-5+/t12?,13-/m0/s1
InChIKeyUOSZLANRTQGRGV-HTHCYZJQSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene 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

(4E)-3,7-dimethylocta-4,6-dien-1-ol
CID 15267831
Dihydro cuminyl alcohol
CID 56924101
(4E)-2,7-dimethylocta-4,6-dien-1-ol
CID 14865537
5-(2-Methoxyethyl)cyclopenta-1,3-diene
CID 12159223
1,5-Difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 89099264
2-Fluoro-5-(methoxymethyl)cyclohexa-1,3-diene
CID 89270544
5-(Methoxymethyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89270545
5-Fluoro-6-(methoxymethyl)cyclohexa-1,3-diene
CID 142855275
(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene
CID 166969290
Methyl 4,6-decadienyl ether
CID 5364203
1-Methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
(Z)-7-methyl-6-methylideneoct-4-en-1-ol
CID 135181574

Frequently Asked Questions

What is the IUPAC name of 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene (CID 70252232) is 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene is COC[C@@H](C)C/C=C/C1=CC(C)CC=C1.
What is the InChIKey of 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
The InChIKey is UOSZLANRTQGRGV-HTHCYZJQSA-N. The full InChI is InChI=1S/C14H22O/c1-12-6-4-8-14(10-12)9-5-7-13(2)11-15-3/h4-5,8-10,12-13H,6-7,11H2,1-3H3/b9-5+/t12?,13-/m0/s1.
What are the key properties of 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene?
2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene has a molecular weight of 206.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,4S)-5-methoxy-4-methylpent-1-enyl]-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 70252232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).