(4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene

C16H26O — CID 102388256

IUPAC(4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@]1(C(C)(C)/C=C/OC)CC=C(C)CC1
InChIInChI=1S/C16H26O/c1-13(2)16(9-7-14(3)8-10-16)15(4,5)11-12-17-6/h7,11-12H,1,8-10H2,2-6H3/b12-11+/t16-/m1/s1
InChIKeyHXOMENFYVGQZJL-LPQFERQCSA-N
MW234.38 g/mol
LogP4.87
Rot. Bonds4

About (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene

(4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 102388256) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID102388256
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@]1(C(C)(C)/C=C/OC)CC=C(C)CC1
InChIInChI=1S/C16H26O/c1-13(2)16(9-7-14(3)8-10-16)15(4,5)11-12-17-6/h7,11-12H,1,8-10H2,2-6H3/b12-11+/t16-/m1/s1
InChIKeyHXOMENFYVGQZJL-LPQFERQCSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.87
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 (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene with MolForge

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Related Compounds

2-methyl-2-[(1S)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl]propanal
CID 102388255
2-(4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl)-2-oxoacetaldehyde
CID 88813544
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
(2R)-2-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
CID 135296629
[(2R)-2-[(1R)-1,4-dimethylcyclohex-3-en-1-yl]-6-methylhept-5-en-2-yl]azanium chloride
CID 171118726
1-(1-ethoxyethenyl)-4-methylcyclohex-3-en-1-ol
CID 10511644
[(1S)-4-methyl-1-(6-methylhepta-1,5-dien-2-yl)cyclohex-3-en-1-yl] acetate
CID 102125310
[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
CID 167697090
(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11414413
1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
(1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene
CID 102207117
1-methoxy-3,7-dimethylocta-1,6-dien-3-ol
CID 154089045

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 102388256) is (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@@]1(C(C)(C)/C=C/OC)CC=C(C)CC1.
What is the InChIKey of (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is HXOMENFYVGQZJL-LPQFERQCSA-N. The full InChI is InChI=1S/C16H26O/c1-13(2)16(9-7-14(3)8-10-16)15(4,5)11-12-17-6/h7,11-12H,1,8-10H2,2-6H3/b12-11+/t16-/m1/s1.
What are the key properties of (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 234.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 102388256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).