1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane

C15H28 — CID 140604748

IUPAC1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane
SMILESCCCCC1CC1/C=C/CCC(C)(C)C
InChIInChI=1S/C15H28/c1-5-6-9-13-12-14(13)10-7-8-11-15(2,3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3/b10-7+
InChIKeyQFPKSEHGEZVNRM-JXMROGBWSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds6

About 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane

1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane (PubChem CID 140604748) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane.

Molecular Properties

Compound Name1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane
PubChem CID140604748
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane
SMILESCCCCC1CC1/C=C/CCC(C)(C)C
InChIInChI=1S/C15H28/c1-5-6-9-13-12-14(13)10-7-8-11-15(2,3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3/b10-7+
InChIKeyQFPKSEHGEZVNRM-JXMROGBWSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane?
The IUPAC name of 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane (CID 140604748) is 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane.
What is the SMILES notation for 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane?
The canonical SMILES for 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane is CCCCC1CC1/C=C/CCC(C)(C)C.
What is the InChIKey of 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane?
The InChIKey is QFPKSEHGEZVNRM-JXMROGBWSA-N. The full InChI is InChI=1S/C15H28/c1-5-6-9-13-12-14(13)10-7-8-11-15(2,3)4/h7,10,13-14H,5-6,8-9,11-12H2,1-4H3/b10-7+.
What are the key properties of 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane?
1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane has a molecular weight of 208.39 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(E)-5,5-dimethylhex-1-enyl]cyclopropane is sourced from PubChem (CID 140604748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).