1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane

C18H34 — CID 163653871

IUPAC1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane
SMILESC=CC(C)(CC)C(C)(C)C1CCC(CCC)CC1
InChIInChI=1S/C18H34/c1-7-10-15-11-13-16(14-12-15)17(4,5)18(6,8-2)9-3/h8,15-16H,2,7,9-14H2,1,3-6H3
InChIKeyIONDXDOPBQBTOT-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.22
Rot. Bonds6

About 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane

1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane (PubChem CID 163653871) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane
PubChem CID163653871
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane
SMILESC=CC(C)(CC)C(C)(C)C1CCC(CCC)CC1
InChIInChI=1S/C18H34/c1-7-10-15-11-13-16(14-12-15)17(4,5)18(6,8-2)9-3/h8,15-16H,2,7,9-14H2,1,3-6H3
InChIKeyIONDXDOPBQBTOT-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.22
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

ethane;propane;propylcyclopropane
CID 145406182
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1,4-dipropylcyclohexane;pentane
CID 90867354
propylcyclotetradecane
CID 90991550
formaldehyde;propylcyclohexane
CID 174845889
1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 19899776
1-methyl-4-propylcycloheptane
CID 90967653
2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
CID 79304063
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
methylidene-(4-propylcyclohexyl)-λ3-iodane
CID 163994299
1-butyl-4-propylcyclononane
CID 123467552

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane?
The IUPAC name of 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane (CID 163653871) is 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane.
What is the SMILES notation for 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane?
The canonical SMILES for 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane is C=CC(C)(CC)C(C)(C)C1CCC(CCC)CC1.
What is the InChIKey of 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane?
The InChIKey is IONDXDOPBQBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-7-10-15-11-13-16(14-12-15)17(4,5)18(6,8-2)9-3/h8,15-16H,2,7,9-14H2,1,3-6H3.
What are the key properties of 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane?
1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane has a molecular weight of 250.47 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,3-dimethylpent-4-en-2-yl)-4-propylcyclohexane is sourced from PubChem (CID 163653871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).