1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen

C24H38O — CID 160964555

IUPAC1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
SMILESC/C=C/C1CCC(/C=C/C2CCC(c3ccc(OC)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C24H34O.2H2/c1-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23;;/h3-4,9-10,15-22H,5-8,11-14H2,1-2H3;2*1H/b4-3+,10-9+;;
InChIKeySXLFDXWSTFXRBA-NSYKGCMRSA-N
MW342.57 g/mol
LogP7.40
Rot. Bonds5

About 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen

1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen (PubChem CID 160964555) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen.

Molecular Properties

Compound Name1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
PubChem CID160964555
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
SMILESC/C=C/C1CCC(/C=C/C2CCC(c3ccc(OC)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C24H34O.2H2/c1-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23;;/h3-4,9-10,15-22H,5-8,11-14H2,1-2H3;2*1H/b4-3+,10-9+;;
InChIKeySXLFDXWSTFXRBA-NSYKGCMRSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine
CID 71173126
2-(4-methoxyphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385090
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 173280840
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
1,2-difluoro-3-methoxy-7-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863353
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
CID 19938016
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
CID 139860723
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen?
The IUPAC name of 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen (CID 160964555) is 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen.
What is the SMILES notation for 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen?
The canonical SMILES for 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen is C/C=C/C1CCC(/C=C/C2CCC(c3ccc(OC)cc3)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen?
The InChIKey is SXLFDXWSTFXRBA-NSYKGCMRSA-N. The full InChI is InChI=1S/C24H34O.2H2/c1-3-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23;;/h3-4,9-10,15-22H,5-8,11-14H2,1-2H3;2*1H/b4-3+,10-9+;;.
What are the key properties of 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen?
1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen has a molecular weight of 342.57 g/mol, XLogP of 7.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen is sourced from PubChem (CID 160964555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).