3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene

C20H36 — CID 123149803

IUPAC3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
SMILESCCCC1C=CC(CCC2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36/c1-3-5-17-7-11-19(12-8-17)15-16-20-13-9-18(6-4-2)10-14-20/h7,11,17-20H,3-6,8-10,12-16H2,1-2H3
InChIKeyYASVKDJWVARDRZ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.76
Rot. Bonds7

About 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene

3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene (PubChem CID 123149803) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene.

Molecular Properties

Compound Name3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
PubChem CID123149803
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
SMILESCCCC1C=CC(CCC2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36/c1-3-5-17-7-11-19(12-8-17)15-16-20-13-9-18(6-4-2)10-14-20/h7,11,17-20H,3-6,8-10,12-16H2,1-2H3
InChIKeyYASVKDJWVARDRZ-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-ethylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 143331042
ethane;propane;propylcyclopropane
CID 145406182
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
1,4-dipropylcyclohexane;pentane
CID 90867354
1-(4-propylcyclohex-2-en-1-yl)ethanone
CID 89128614
(1S,4S)-4-propylcyclohex-2-ene-1-carboxylic acid
CID 71352376
1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123777474
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
propylcyclotetradecane
CID 90991550
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783

Frequently Asked Questions

What is the IUPAC name of 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene?
The IUPAC name of 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene (CID 123149803) is 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene.
What is the SMILES notation for 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene?
The canonical SMILES for 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene is CCCC1C=CC(CCC2CCC(CCC)CC2)CC1.
What is the InChIKey of 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene?
The InChIKey is YASVKDJWVARDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-3-5-17-7-11-19(12-8-17)15-16-20-13-9-18(6-4-2)10-14-20/h7,11,17-20H,3-6,8-10,12-16H2,1-2H3.
What are the key properties of 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene?
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene has a molecular weight of 276.51 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene is sourced from PubChem (CID 123149803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).