1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane

C26H48 — CID 173282079

IUPAC1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
SMILESCCCC=CC1CCCCC1CCCCC1CCC(CCCCC)CC1
InChIInChI=1S/C26H48/c1-3-5-7-13-23-19-21-24(22-20-23)14-9-10-16-26-18-12-11-17-25(26)15-8-6-4-2/h8,15,23-26H,3-7,9-14,16-22H2,1-2H3
InChIKeyCNJMJDDQZOJCTQ-UHFFFAOYSA-N
MW360.67 g/mol
LogP9.10
Rot. Bonds12

About 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane

1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane (PubChem CID 173282079) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane.

Molecular Properties

Compound Name1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
PubChem CID173282079
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
SMILESCCCC=CC1CCCCC1CCCCC1CCC(CCCCC)CC1
InChIInChI=1S/C26H48/c1-3-5-7-13-23-19-21-24(22-20-23)14-9-10-16-26-18-12-11-17-25(26)15-8-6-4-2/h8,15,23-26H,3-7,9-14,16-22H2,1-2H3
InChIKeyCNJMJDDQZOJCTQ-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 173282196
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
hexane;pentylcyclopropane
CID 159592467
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane?
The IUPAC name of 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane (CID 173282079) is 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane.
What is the SMILES notation for 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane?
The canonical SMILES for 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane is CCCC=CC1CCCCC1CCCCC1CCC(CCCCC)CC1.
What is the InChIKey of 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane?
The InChIKey is CNJMJDDQZOJCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48/c1-3-5-7-13-23-19-21-24(22-20-23)14-9-10-16-26-18-12-11-17-25(26)15-8-6-4-2/h8,15,23-26H,3-7,9-14,16-22H2,1-2H3.
What are the key properties of 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane?
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane has a molecular weight of 360.67 g/mol, XLogP of 9.10, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane is sourced from PubChem (CID 173282079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).