2-pentylbicyclo[4.2.1]nonane

C14H26 — CID 123279390

IUPAC2-pentylbicyclo[4.2.1]nonane
SMILESCCCCCC1CCCC2CCC1C2
InChIInChI=1S/C14H26/c1-2-3-4-7-13-8-5-6-12-9-10-14(13)11-12/h12-14H,2-11H2,1H3
InChIKeyHWDBNRNFMDHACM-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.78
Rot. Bonds4

About 2-pentylbicyclo[4.2.1]nonane

2-pentylbicyclo[4.2.1]nonane (PubChem CID 123279390) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-pentylbicyclo[4.2.1]nonane.

Molecular Properties

Compound Name2-pentylbicyclo[4.2.1]nonane
PubChem CID123279390
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-pentylbicyclo[4.2.1]nonane
SMILESCCCCCC1CCCC2CCC1C2
InChIInChI=1S/C14H26/c1-2-3-4-7-13-8-5-6-12-9-10-14(13)11-12/h12-14H,2-11H2,1H3
InChIKeyHWDBNRNFMDHACM-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
1-decyl-2-methylcyclohexane
CID 123746851
7-butyl-1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 53438681
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728

Frequently Asked Questions

What is the IUPAC name of 2-pentylbicyclo[4.2.1]nonane?
The IUPAC name of 2-pentylbicyclo[4.2.1]nonane (CID 123279390) is 2-pentylbicyclo[4.2.1]nonane.
What is the SMILES notation for 2-pentylbicyclo[4.2.1]nonane?
The canonical SMILES for 2-pentylbicyclo[4.2.1]nonane is CCCCCC1CCCC2CCC1C2.
What is the InChIKey of 2-pentylbicyclo[4.2.1]nonane?
The InChIKey is HWDBNRNFMDHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-2-3-4-7-13-8-5-6-12-9-10-14(13)11-12/h12-14H,2-11H2,1H3.
What are the key properties of 2-pentylbicyclo[4.2.1]nonane?
2-pentylbicyclo[4.2.1]nonane has a molecular weight of 194.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylbicyclo[4.2.1]nonane is sourced from PubChem (CID 123279390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).