9-pentan-3-ylbicyclo[3.3.1]nonane

C14H26 — CID 18442189

IUPAC9-pentan-3-ylbicyclo[3.3.1]nonane
SMILESCCC(CC)C1C2CCCC1CCC2
InChIInChI=1S/C14H26/c1-3-11(4-2)14-12-7-5-8-13(14)10-6-9-12/h11-14H,3-10H2,1-2H3
InChIKeyWIVHUOUUTYPXLG-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds3

About 9-pentan-3-ylbicyclo[3.3.1]nonane

9-pentan-3-ylbicyclo[3.3.1]nonane (PubChem CID 18442189) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 9-pentan-3-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-pentan-3-ylbicyclo[3.3.1]nonane
PubChem CID18442189
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name9-pentan-3-ylbicyclo[3.3.1]nonane
SMILESCCC(CC)C1C2CCCC1CCC2
InChIInChI=1S/C14H26/c1-3-11(4-2)14-12-7-5-8-13(14)10-6-9-12/h11-14H,3-10H2,1-2H3
InChIKeyWIVHUOUUTYPXLG-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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Related Compounds

5-pentan-3-ylbicyclo[2.1.0]pentane
CID 123841623
1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
pentan-3-ylcyclopropane
CID 19042038
(2R)-2,7-di(pentan-3-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527872
2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170527852
(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;ethane;propane
CID 144941558
butan-2-ylsilane;cyclopentylcyclopentane
CID 174854150
4-(3-pentan-3-ylcyclohexyl)cyclohexene
CID 174503613
2-methylbutane;methylcyclobutane
CID 57473841

Frequently Asked Questions

What is the IUPAC name of 9-pentan-3-ylbicyclo[3.3.1]nonane?
The IUPAC name of 9-pentan-3-ylbicyclo[3.3.1]nonane (CID 18442189) is 9-pentan-3-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for 9-pentan-3-ylbicyclo[3.3.1]nonane?
The canonical SMILES for 9-pentan-3-ylbicyclo[3.3.1]nonane is CCC(CC)C1C2CCCC1CCC2.
What is the InChIKey of 9-pentan-3-ylbicyclo[3.3.1]nonane?
The InChIKey is WIVHUOUUTYPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-11(4-2)14-12-7-5-8-13(14)10-6-9-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 9-pentan-3-ylbicyclo[3.3.1]nonane?
9-pentan-3-ylbicyclo[3.3.1]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 9-pentan-3-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 18442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).