1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane

C15H26 — CID 90722887

IUPAC1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane
SMILESC=C=C(CC)C1CC1CCC(C)CCC
InChIInChI=1S/C15H26/c1-5-8-12(4)9-10-14-11-15(14)13(6-2)7-3/h12,14-15H,2,5,7-11H2,1,3-4H3
InChIKeyROTGMCFNQQVIKB-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.96
Rot. Bonds7

About 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane

1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane (PubChem CID 90722887) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane.

Molecular Properties

Compound Name1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane
PubChem CID90722887
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane
SMILESC=C=C(CC)C1CC1CCC(C)CCC
InChIInChI=1S/C15H26/c1-5-8-12(4)9-10-14-11-15(14)13(6-2)7-3/h12,14-15H,2,5,7-11H2,1,3-4H3
InChIKeyROTGMCFNQQVIKB-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane?
The IUPAC name of 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane (CID 90722887) is 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane.
What is the SMILES notation for 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane?
The canonical SMILES for 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane is C=C=C(CC)C1CC1CCC(C)CCC.
What is the InChIKey of 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane?
The InChIKey is ROTGMCFNQQVIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-8-12(4)9-10-14-11-15(14)13(6-2)7-3/h12,14-15H,2,5,7-11H2,1,3-4H3.
What are the key properties of 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane?
1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane has a molecular weight of 206.37 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexyl)-2-penta-1,2-dien-3-ylcyclopropane is sourced from PubChem (CID 90722887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).