3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene

C16H28 — CID 123626082

IUPAC3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
SMILESCCCCC(C)C(C)C1C(C(C)C)=C2CC21
InChIInChI=1S/C16H28/c1-6-7-8-11(4)12(5)16-14-9-13(14)15(16)10(2)3/h10-12,14,16H,6-9H2,1-5H3
InChIKeyGXNVGXFOZKXVGD-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.05
Rot. Bonds6

About 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene

3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene (PubChem CID 123626082) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene.

Molecular Properties

Compound Name3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
PubChem CID123626082
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene
SMILESCCCCC(C)C(C)C1C(C(C)C)=C2CC21
InChIInChI=1S/C16H28/c1-6-7-8-11(4)12(5)16-14-9-13(14)15(16)10(2)3/h10-12,14,16H,6-9H2,1-5H3
InChIKeyGXNVGXFOZKXVGD-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
The IUPAC name of 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene (CID 123626082) is 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene.
What is the SMILES notation for 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
The canonical SMILES for 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene is CCCCC(C)C(C)C1C(C(C)C)=C2CC21.
What is the InChIKey of 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
The InChIKey is GXNVGXFOZKXVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-7-8-11(4)12(5)16-14-9-13(14)15(16)10(2)3/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene?
3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene has a molecular weight of 220.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylheptan-2-yl)-2-propan-2-ylbicyclo[2.1.0]pent-1-ene is sourced from PubChem (CID 123626082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).