3-pentan-2-ylbicyclo[6.1.0]nonane

C14H26 — CID 91542239

IUPAC3-pentan-2-ylbicyclo[6.1.0]nonane
SMILESCCCC(C)C1CCCCC2CC2C1
InChIInChI=1S/C14H26/c1-3-6-11(2)12-7-4-5-8-13-10-14(13)9-12/h11-14H,3-10H2,1-2H3
InChIKeyFCONZLSBZXSAJV-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds3

About 3-pentan-2-ylbicyclo[6.1.0]nonane

3-pentan-2-ylbicyclo[6.1.0]nonane (PubChem CID 91542239) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-pentan-2-ylbicyclo[6.1.0]nonane.

Molecular Properties

Compound Name3-pentan-2-ylbicyclo[6.1.0]nonane
PubChem CID91542239
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-pentan-2-ylbicyclo[6.1.0]nonane
SMILESCCCC(C)C1CCCCC2CC2C1
InChIInChI=1S/C14H26/c1-3-6-11(2)12-7-4-5-8-13-10-14(13)9-12/h11-14H,3-10H2,1-2H3
InChIKeyFCONZLSBZXSAJV-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-ylbicyclo[6.1.0]nonane?
The IUPAC name of 3-pentan-2-ylbicyclo[6.1.0]nonane (CID 91542239) is 3-pentan-2-ylbicyclo[6.1.0]nonane.
What is the SMILES notation for 3-pentan-2-ylbicyclo[6.1.0]nonane?
The canonical SMILES for 3-pentan-2-ylbicyclo[6.1.0]nonane is CCCC(C)C1CCCCC2CC2C1.
What is the InChIKey of 3-pentan-2-ylbicyclo[6.1.0]nonane?
The InChIKey is FCONZLSBZXSAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-6-11(2)12-7-4-5-8-13-10-14(13)9-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-pentan-2-ylbicyclo[6.1.0]nonane?
3-pentan-2-ylbicyclo[6.1.0]nonane has a molecular weight of 194.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-ylbicyclo[6.1.0]nonane is sourced from PubChem (CID 91542239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).