1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene

C27H42O — CID 19988281

IUPAC1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
SMILESCCCCOc1ccc(CCC2=CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C27H42O/c1-3-5-21-28-27-19-13-24(14-20-27)8-7-23-11-17-26(18-12-23)25-15-9-22(6-4-2)10-16-25/h11,13-14,19-20,22,25-26H,3-10,12,15-18,21H2,1-2H3
InChIKeyDMWOCQYQAKVSSI-UHFFFAOYSA-N
MW382.63 g/mol
LogP8.13
Rot. Bonds10

About 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene

1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene (PubChem CID 19988281) has the molecular formula C27H42O and a molecular weight of 382.63 g/mol. Its IUPAC name is 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
PubChem CID19988281
Molecular FormulaC27H42O
Molecular Weight382.63 g/mol
Exact Mass382.32
IUPAC Name1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
SMILESCCCCOc1ccc(CCC2=CCC(C3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C27H42O/c1-3-5-21-28-27-19-13-24(14-20-27)8-7-23-11-17-26(18-12-23)25-15-9-22(6-4-2)10-16-25/h11,13-14,19-20,22,25-26H,3-10,12,15-18,21H2,1-2H3
InChIKeyDMWOCQYQAKVSSI-UHFFFAOYSA-N
XLogP8.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
1-butoxy-2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988273
1-butoxy-4-[2-[4-(4-butylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene;1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethynyl]benzene
CID 70382598
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methylbenzene
CID 18647719
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-butyl-4-[2-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19988165
2-fluoro-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-1-methoxybenzene
CID 19988191
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
The IUPAC name of 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene (CID 19988281) is 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene.
What is the SMILES notation for 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
The canonical SMILES for 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene is CCCCOc1ccc(CCC2=CCC(C3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
The InChIKey is DMWOCQYQAKVSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O/c1-3-5-21-28-27-19-13-24(14-20-27)8-7-23-11-17-26(18-12-23)25-15-9-22(6-4-2)10-16-25/h11,13-14,19-20,22,25-26H,3-10,12,15-18,21H2,1-2H3.
What are the key properties of 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene?
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene has a molecular weight of 382.63 g/mol, XLogP of 8.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene is sourced from PubChem (CID 19988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).