1-hexyl-2-(3-methylbut-2-enyl)cyclopropane

C14H26 — CID 15457618

IUPAC1-hexyl-2-(3-methylbut-2-enyl)cyclopropane
SMILESCCCCCCC1CC1CC=C(C)C
InChIInChI=1S/C14H26/c1-4-5-6-7-8-13-11-14(13)10-9-12(2)3/h9,13-14H,4-8,10-11H2,1-3H3
InChIKeyALDXVCIOPDRWEI-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds7

About 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane

1-hexyl-2-(3-methylbut-2-enyl)cyclopropane (PubChem CID 15457618) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane.

Molecular Properties

Compound Name1-hexyl-2-(3-methylbut-2-enyl)cyclopropane
PubChem CID15457618
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-hexyl-2-(3-methylbut-2-enyl)cyclopropane
SMILESCCCCCCC1CC1CC=C(C)C
InChIInChI=1S/C14H26/c1-4-5-6-7-8-13-11-14(13)10-9-12(2)3/h9,13-14H,4-8,10-11H2,1-3H3
InChIKeyALDXVCIOPDRWEI-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane?
The IUPAC name of 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane (CID 15457618) is 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane.
What is the SMILES notation for 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane?
The canonical SMILES for 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane is CCCCCCC1CC1CC=C(C)C.
What is the InChIKey of 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane?
The InChIKey is ALDXVCIOPDRWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-5-6-7-8-13-11-14(13)10-9-12(2)3/h9,13-14H,4-8,10-11H2,1-3H3.
What are the key properties of 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane?
1-hexyl-2-(3-methylbut-2-enyl)cyclopropane has a molecular weight of 194.36 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-(3-methylbut-2-enyl)cyclopropane is sourced from PubChem (CID 15457618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).