(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C9H16O — CID 14039403

IUPAC(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1CC[C@H]2[C@@H]1OCC2C
InChIInChI=1S/C9H16O/c1-6-3-4-8-7(2)5-10-9(6)8/h6-9H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1
InChIKeyVFLMKAODUSCWQL-GEPGNKONSA-N
MW140.22 g/mol
LogP2.30
Rot. Bonds

About (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 14039403) has the molecular formula C9H16O and a molecular weight of 140.22 g/mol. Its IUPAC name is (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID14039403
Molecular FormulaC9H16O
Molecular Weight140.22 g/mol
Exact Mass140.12
IUPAC Name(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1CC[C@H]2[C@@H]1OCC2C
InChIInChI=1S/C9H16O/c1-6-3-4-8-7(2)5-10-9(6)8/h6-9H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1
InChIKeyVFLMKAODUSCWQL-GEPGNKONSA-N
XLogP2.30
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan with MolForge

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Launch Full Analysis

Related Compounds

hexahydro-6a-pentyl-2H-cyclopenta(b)furan
CID 44146507
2-ethyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 68733861
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
2-(3-Methylbutan-2-yl)oxolane
CID 12508226
6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039398
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
3-butyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
CID 20437269
4,4,6a-trimethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
CID 20437270
3-butan-2-yl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
CID 20437272
4,4,5,6a-tetramethyl-3-propyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
CID 20437273

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 14039403) is (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is CC1CC[C@H]2[C@@H]1OCC2C.
What is the InChIKey of (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is VFLMKAODUSCWQL-GEPGNKONSA-N. The full InChI is InChI=1S/C9H16O/c1-6-3-4-8-7(2)5-10-9(6)8/h6-9H,3-5H2,1-2H3/t6?,7?,8-,9-/m1/s1.
What are the key properties of (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 140.22 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 14039403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).