(3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan

C9H14O — CID 163713912

IUPAC(3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
SMILESC[C@@H]1C[C@@H](C)[C@H]2OC=C[C@H]21
InChIInChI=1S/C9H14O/c1-6-5-7(2)9-8(6)3-4-10-9/h3-4,6-9H,5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeySZRXLCMANDCLLR-LURQLKTLSA-N
MW138.21 g/mol
LogP2.19
Rot. Bonds

About (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan

(3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan (PubChem CID 163713912) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
PubChem CID163713912
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
SMILESC[C@@H]1C[C@@H](C)[C@H]2OC=C[C@H]21
InChIInChI=1S/C9H14O/c1-6-5-7(2)9-8(6)3-4-10-9/h3-4,6-9H,5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeySZRXLCMANDCLLR-LURQLKTLSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan with MolForge

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Related Compounds

(1R,2R,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 46217809
4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 142057992
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 23572815
2,4,6-trimethylbicyclo[3.2.0]hept-6-ene
CID 140744429
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
(1S,6S)-13-[(1R)-2-methylcyclohexyl]-5,14-dioxatricyclo[8.4.0.02,6]tetradeca-3,12-dien-11-one
CID 155259023
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1R,2R,3S,7R,9S,11S,13R,17S)-6,8,10,12,14-pentaoxapentacyclo[9.6.0.02,9.03,7.013,17]heptadeca-4,15-diene
CID 102048381
2-methyl-2,3-dihydrofuran-3-thiol
CID 524174
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The IUPAC name of (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan (CID 163713912) is (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan.
What is the SMILES notation for (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The canonical SMILES for (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan is C[C@@H]1C[C@@H](C)[C@H]2OC=C[C@H]21.
What is the InChIKey of (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The InChIKey is SZRXLCMANDCLLR-LURQLKTLSA-N. The full InChI is InChI=1S/C9H14O/c1-6-5-7(2)9-8(6)3-4-10-9/h3-4,6-9H,5H2,1-2H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
(3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan has a molecular weight of 138.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6R,6aR)-4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan is sourced from PubChem (CID 163713912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).