1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene

C19H28O — CID 20676986

IUPAC1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2ccc(OCCCC)cc2)CC1
InChIInChI=1S/C19H28O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h4,11-14,16-17H,2-3,5-10,15H2,1H3
InChIKeyDDEVKINIWAMDHJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.72
Rot. Bonds7

About 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene

1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene (PubChem CID 20676986) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene.

Molecular Properties

Compound Name1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
PubChem CID20676986
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
SMILESC=CCC1CCC(c2ccc(OCCCC)cc2)CC1
InChIInChI=1S/C19H28O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h4,11-14,16-17H,2-3,5-10,15H2,1H3
InChIKeyDDEVKINIWAMDHJ-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.72
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-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-[4-[2-[4-(3-fluoroprop-2-enyl)cyclohexyl]ethyl]cyclohexyl]-4-hexoxybenzene
CID 54572382
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
2-butyl-6-[4-(4-prop-2-enoxyphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866150
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene?
The IUPAC name of 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene (CID 20676986) is 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene.
What is the SMILES notation for 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene?
The canonical SMILES for 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene is C=CCC1CCC(c2ccc(OCCCC)cc2)CC1.
What is the InChIKey of 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene?
The InChIKey is DDEVKINIWAMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h4,11-14,16-17H,2-3,5-10,15H2,1H3.
What are the key properties of 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene?
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene has a molecular weight of 272.43 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene is sourced from PubChem (CID 20676986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).