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

C9H16O — CID 54389243

IUPAC(3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@H]1COC2C1CC[C@@H]2C
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?/m0/s1
InChIKeyVFLMKAODUSCWQL-MSIFESELSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds

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

(3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 54389243) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID54389243
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@H]1COC2C1CC[C@@H]2C
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?/m0/s1
InChIKeyVFLMKAODUSCWQL-MSIFESELSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 54389243) is (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C[C@H]1COC2C1CC[C@@H]2C.
What is the InChIKey of (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is VFLMKAODUSCWQL-MSIFESELSA-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?/m0/s1.
What are the key properties of (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]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 (3R,6S)-3,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 54389243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).