1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene

C23H36O — CID 54254660

IUPAC1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
SMILESCC=CCCC1CCC(c2ccc(COCCCCC)cc2)CC1
InChIInChI=1S/C23H36O/c1-3-5-7-9-20-10-14-22(15-11-20)23-16-12-21(13-17-23)19-24-18-8-6-4-2/h3,5,12-13,16-17,20,22H,4,6-11,14-15,18-19H2,1-2H3
InChIKeyQZDVEIGJTVPLDX-UHFFFAOYSA-N
MW328.54 g/mol
LogP7.02
Rot. Bonds10

About 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene

1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene (PubChem CID 54254660) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene.

Molecular Properties

Compound Name1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
PubChem CID54254660
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
SMILESCC=CCCC1CCC(c2ccc(COCCCCC)cc2)CC1
InChIInChI=1S/C23H36O/c1-3-5-7-9-20-10-14-22(15-11-20)23-16-12-21(13-17-23)19-24-18-8-6-4-2/h3,5,12-13,16-17,20,22H,4,6-11,14-15,18-19H2,1-2H3
InChIKeyQZDVEIGJTVPLDX-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.02
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-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
1-(pentoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677329
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1-(4-but-2-enylcyclohexyl)-4-(pent-4-enoxymethyl)benzene
CID 54568154
1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene
CID 18649527
1-(pent-3-enoxymethyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 67677295
1-(pent-3-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)benzene
CID 54403576
1-(4-but-2-enylcyclohexyl)-4-[4-(pent-4-enoxymethyl)phenyl]benzene
CID 54215959
1-(4-pent-2-enylcyclohexyl)-4-(propoxymethyl)benzene
CID 54106405
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
CID 145235011

Frequently Asked Questions

What is the IUPAC name of 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene?
The IUPAC name of 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene (CID 54254660) is 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene.
What is the SMILES notation for 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene?
The canonical SMILES for 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene is CC=CCCC1CCC(c2ccc(COCCCCC)cc2)CC1.
What is the InChIKey of 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene?
The InChIKey is QZDVEIGJTVPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-3-5-7-9-20-10-14-22(15-11-20)23-16-12-21(13-17-23)19-24-18-8-6-4-2/h3,5,12-13,16-17,20,22H,4,6-11,14-15,18-19H2,1-2H3.
What are the key properties of 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene?
1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene has a molecular weight of 328.54 g/mol, XLogP of 7.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene is sourced from PubChem (CID 54254660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).