methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene

C20H32O2 — CID 143461576

IUPACmethanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CO.COc1cccc(C2(C)CCCCC2)c1
InChIInChI=1S/C14H20O.C5H8.CH4O/c1-14(9-4-3-5-10-14)12-7-6-8-13(11-12)15-2;1-3-5-4-2;1-2/h6-8,11H,3-5,9-10H2,1-2H3;3-5H,1H2,2H3;2H,1H3/b;5-4-;
InChIKeyZSUASPWPGMTXMA-FXHNQCOHSA-N
MW304.47 g/mol
LogP5.27
Rot. Bonds3

About methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene

methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene (PubChem CID 143461576) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Namemethanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene
PubChem CID143461576
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Namemethanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CO.COc1cccc(C2(C)CCCCC2)c1
InChIInChI=1S/C14H20O.C5H8.CH4O/c1-14(9-4-3-5-10-14)12-7-6-8-13(11-12)15-2;1-3-5-4-2;1-2/h6-8,11H,3-5,9-10H2,1-2H3;3-5H,1H2,2H3;2H,1H3/b;5-4-;
InChIKeyZSUASPWPGMTXMA-FXHNQCOHSA-N
XLogP5.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(3-methoxyphenyl)-1,3-dimethylpiperidine
CID 129404218
2-(3-methoxyphenyl)-N,N,1,2-tetramethylcyclohexan-1-amine
CID 20571901
1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
CID 129090086
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
CID 13363428
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188

Frequently Asked Questions

What is the IUPAC name of methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene?
The IUPAC name of methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene (CID 143461576) is methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene.
What is the SMILES notation for methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene?
The canonical SMILES for methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene is C=C/C=C\C.CO.COc1cccc(C2(C)CCCCC2)c1.
What is the InChIKey of methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene?
The InChIKey is ZSUASPWPGMTXMA-FXHNQCOHSA-N. The full InChI is InChI=1S/C14H20O.C5H8.CH4O/c1-14(9-4-3-5-10-14)12-7-6-8-13(11-12)15-2;1-3-5-4-2;1-2/h6-8,11H,3-5,9-10H2,1-2H3;3-5H,1H2,2H3;2H,1H3/b;5-4-;.
What are the key properties of methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene?
methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene has a molecular weight of 304.47 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143461576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).