1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane

C16H28 — CID 91372204

IUPAC1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane
SMILESCC(C)CCCCC1CC1C=CCC1CC1
InChIInChI=1S/C16H28/c1-13(2)6-3-4-8-15-12-16(15)9-5-7-14-10-11-14/h5,9,13-16H,3-4,6-8,10-12H2,1-2H3
InChIKeyVLLRCNBIVZOJSG-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.20
Rot. Bonds8

About 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane

1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane (PubChem CID 91372204) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane.

Molecular Properties

Compound Name1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane
PubChem CID91372204
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane
SMILESCC(C)CCCCC1CC1C=CCC1CC1
InChIInChI=1S/C16H28/c1-13(2)6-3-4-8-15-12-16(15)9-5-7-14-10-11-14/h5,9,13-16H,3-4,6-8,10-12H2,1-2H3
InChIKeyVLLRCNBIVZOJSG-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.20
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-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
CID 123529702
(1S,2R,3R,5R)-3-[(Z)-2-(4-hydroxy-1-methylcyclohexyl)ethenyl]-5-(5-methylhexyl)cyclopentane-1,2-diol
CID 10427278
1-ethyl-2-(5-methylheptyl)-4-(10-methyl-2-pentylundecyl)cyclohexane
CID 58895748
13-methyltetradecylcyclopentane
CID 123698808
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
2-(4-methylpentyl)-5-pentylcyclopentan-1-ol
CID 22937327
(Z)-N-methyl-6-[(1R)-2-propylcyclopropyl]hex-5-en-1-amine
CID 143731926
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane?
The IUPAC name of 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane (CID 91372204) is 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane.
What is the SMILES notation for 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane?
The canonical SMILES for 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane is CC(C)CCCCC1CC1C=CCC1CC1.
What is the InChIKey of 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane?
The InChIKey is VLLRCNBIVZOJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-13(2)6-3-4-8-15-12-16(15)9-5-7-14-10-11-14/h5,9,13-16H,3-4,6-8,10-12H2,1-2H3.
What are the key properties of 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane?
1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane has a molecular weight of 220.40 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylprop-1-enyl)-2-(5-methylhexyl)cyclopropane is sourced from PubChem (CID 91372204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).