hexahydro-6a-pentyl-2H-cyclopenta(b)furan

C12H22O — CID 44146507

IUPAC6a-pentyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCCCCCC12CCCC1CCO2
InChIInChI=1S/C12H22O/c1-2-3-4-8-12-9-5-6-11(12)7-10-13-12/h11H,2-10H2,1H3
InChIKeyMKNDEHITWQEWCT-UHFFFAOYSA-N
MW182.30 g/mol
LogP3.50
Rot. Bonds4

About hexahydro-6a-pentyl-2H-cyclopenta(b)furan

hexahydro-6a-pentyl-2H-cyclopenta(b)furan (PubChem CID 44146507) has the molecular formula C12H22O and a molecular weight of 182.30 g/mol. Its IUPAC name is 6a-pentyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Namehexahydro-6a-pentyl-2H-cyclopenta(b)furan
PubChem CID44146507
Molecular FormulaC12H22O
Molecular Weight182.30 g/mol
Exact Mass182.17
IUPAC Name6a-pentyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCCCCCC12CCCC1CCO2
InChIInChI=1S/C12H22O/c1-2-3-4-8-12-9-5-6-11(12)7-10-13-12/h11H,2-10H2,1H3
InChIKeyMKNDEHITWQEWCT-UHFFFAOYSA-N
XLogP3.50
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity167

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

rac-(3aR,6aR)-6a-(iodomethyl)-hexahydro-2H-cyclopenta(b)furan
CID 165605973
3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 138627533
6a-Methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 67559087
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 68733861
4-Methyl-1-oxaspiro[4.4]nonane
CID 101047494
Undecahydro-3a-methylcyclopenta[b]benzofuran
CID 129806332
3,6,6a-Trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 135040130
(2S,3R,3aS,6aS)-2-butyl-3-iodo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 15642881
4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 13334307
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039400
3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039402
(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039403

Frequently Asked Questions

What is the IUPAC name of hexahydro-6a-pentyl-2H-cyclopenta(b)furan?
The IUPAC name of hexahydro-6a-pentyl-2H-cyclopenta(b)furan (CID 44146507) is 6a-pentyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for hexahydro-6a-pentyl-2H-cyclopenta(b)furan?
The canonical SMILES for hexahydro-6a-pentyl-2H-cyclopenta(b)furan is CCCCCC12CCCC1CCO2.
What is the InChIKey of hexahydro-6a-pentyl-2H-cyclopenta(b)furan?
The InChIKey is MKNDEHITWQEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-4-8-12-9-5-6-11(12)7-10-13-12/h11H,2-10H2,1H3.
What are the key properties of hexahydro-6a-pentyl-2H-cyclopenta(b)furan?
hexahydro-6a-pentyl-2H-cyclopenta(b)furan has a molecular weight of 182.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexahydro-6a-pentyl-2H-cyclopenta(b)furan is sourced from PubChem (CID 44146507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).