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

C14H26 — CID 11735710

IUPAC1-hexyl-1-(2-methylbut-3-enyl)cyclopropane
SMILESC=CC(C)CC1(CCCCCC)CC1
InChIInChI=1S/C14H26/c1-4-6-7-8-9-14(10-11-14)12-13(3)5-2/h5,13H,2,4,6-12H2,1,3H3
InChIKeyAGYDNEXDIGREJA-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds8

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

1-hexyl-1-(2-methylbut-3-enyl)cyclopropane (PubChem CID 11735710) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane.

Molecular Properties

Compound Name1-hexyl-1-(2-methylbut-3-enyl)cyclopropane
PubChem CID11735710
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-hexyl-1-(2-methylbut-3-enyl)cyclopropane
SMILESC=CC(C)CC1(CCCCCC)CC1
InChIInChI=1S/C14H26/c1-4-6-7-8-9-14(10-11-14)12-13(3)5-2/h5,13H,2,4,6-12H2,1,3H3
InChIKeyAGYDNEXDIGREJA-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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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Related Compounds

1-octyl-1-prop-2-enylcyclopropane
CID 134979265
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
N-[(1-dodecylcyclobutyl)methyl]propan-2-amine
CID 65194668
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
1,1-dipentylcyclononane
CID 169026027
ethenol;heptadecane
CID 158851930

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane?
The IUPAC name of 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane (CID 11735710) is 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane.
What is the SMILES notation for 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane?
The canonical SMILES for 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane is C=CC(C)CC1(CCCCCC)CC1.
What is the InChIKey of 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane?
The InChIKey is AGYDNEXDIGREJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-6-7-8-9-14(10-11-14)12-13(3)5-2/h5,13H,2,4,6-12H2,1,3H3.
What are the key properties of 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane?
1-hexyl-1-(2-methylbut-3-enyl)cyclopropane has a molecular weight of 194.36 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1-(2-methylbut-3-enyl)cyclopropane is sourced from PubChem (CID 11735710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).