4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan

C9H16O — CID 130381830

IUPAC4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
SMILESCC1(C)CCC2COCC21
InChIInChI=1S/C9H16O/c1-9(2)4-3-7-5-10-6-8(7)9/h7-8H,3-6H2,1-2H3
InChIKeyPWMTVKJRBQRCQM-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds

About 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan

4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan (PubChem CID 130381830) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan.

Molecular Properties

Compound Name4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
PubChem CID130381830
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
SMILESCC1(C)CCC2COCC21
InChIInChI=1S/C9H16O/c1-9(2)4-3-7-5-10-6-8(7)9/h7-8H,3-6H2,1-2H3
InChIKeyPWMTVKJRBQRCQM-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan with MolForge

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

Launch Full Analysis

Related Compounds

(4aR,8aS)-5,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydroisochromen-3-ol
CID 11769214
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170915193
(3aS,4R,5S,7aR)-4-methyl-5-piperidin-1-ium-1-yl-3,3a,5,6,7,7a-hexahydro-1H-2-benzofuran-4-ol
CID 7073286
5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
CID 176945855
1-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)ethanol
CID 129031720
5,5-dimethylbicyclo[4.1.0]heptan-2-ol
CID 11116155
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol
CID 129031543
(3S,5aR,6aR,8S,10aS,11aR,11bS)-3a-methylspiro[2,4,5,5a,6,6a,7,8,9,10,10a,11,11a,11b-tetradecahydro-1H-cyclopenta[a]anthracene-3,2'-oxirane]-8-ol
CID 130321146
(3aS,5aR,6aR,8S,10aS,11aR,11bS)-3a-methylspiro[2,4,5,5a,6,6a,7,8,9,10,10a,11,11a,11b-tetradecahydro-1H-cyclopenta[a]anthracene-3,2'-oxirane]-8-ol
CID 126552269

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan?
The IUPAC name of 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan (CID 130381830) is 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan.
What is the SMILES notation for 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan?
The canonical SMILES for 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan is CC1(C)CCC2COCC21.
What is the InChIKey of 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan?
The InChIKey is PWMTVKJRBQRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2)4-3-7-5-10-6-8(7)9/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan?
4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan has a molecular weight of 140.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan is sourced from PubChem (CID 130381830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).