2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene

C20H34 — CID 91305725

IUPAC2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene
SMILESCCC(CC(C)CC(C)CC(C)C1CC1C)C1=C2CC21
InChIInChI=1S/C20H34/c1-6-16(20-18-11-19(18)20)9-13(3)7-12(2)8-14(4)17-10-15(17)5/h12-18H,6-11H2,1-5H3
InChIKeyKIZOSYWZHAIBLF-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.08
Rot. Bonds9

About 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene

2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene (PubChem CID 91305725) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene
PubChem CID91305725
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene
SMILESCCC(CC(C)CC(C)CC(C)C1CC1C)C1=C2CC21
InChIInChI=1S/C20H34/c1-6-16(20-18-11-19(18)20)9-13(3)7-12(2)8-14(4)17-10-15(17)5/h12-18H,6-11H2,1-5H3
InChIKeyKIZOSYWZHAIBLF-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.08
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 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene?
The IUPAC name of 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene (CID 91305725) is 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene is CCC(CC(C)CC(C)CC(C)C1CC1C)C1=C2CC21.
What is the InChIKey of 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene?
The InChIKey is KIZOSYWZHAIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-6-16(20-18-11-19(18)20)9-13(3)7-12(2)8-14(4)17-10-15(17)5/h12-18H,6-11H2,1-5H3.
What are the key properties of 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene?
2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene has a molecular weight of 274.49 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 91305725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).