(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol

C8H14O2 — CID 10582888

IUPAC(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
SMILESC[C@@H]1CO[C@@H]2CCC[C@]12O
InChIInChI=1S/C8H14O2/c1-6-5-10-7-3-2-4-8(6,7)9/h6-7,9H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyQNDVHYGWUMHPPO-PRJMDXOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds

About (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol

(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol (PubChem CID 10582888) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol.

Molecular Properties

Compound Name(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
PubChem CID10582888
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
SMILESC[C@@H]1CO[C@@H]2CCC[C@]12O
InChIInChI=1S/C8H14O2/c1-6-5-10-7-3-2-4-8(6,7)9/h6-7,9H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyQNDVHYGWUMHPPO-PRJMDXOYSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol with MolForge

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Related Compounds

(3R,3aS,7aR)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3,3a-diol
CID 10964782
(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
CID 130151002
2,6,6,10-tetramethyl-1-oxaspiro[4.5]decan-2-ol
CID 18442256
1-[(2R)-oxiran-2-yl]cyclopropan-1-ol
CID 102424784
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
2-methyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130555054
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
2-(1-methylcyclobutyl)oxirane
CID 178200623
5-methylcyclooctane-1,1-diol
CID 22461370
1-(1,2,2,3-tetramethylcyclohexyl)ethane-1,1-diol
CID 142654820
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
CID 135037220

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
The IUPAC name of (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol (CID 10582888) is (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol.
What is the SMILES notation for (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
The canonical SMILES for (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol is C[C@@H]1CO[C@@H]2CCC[C@]12O.
What is the InChIKey of (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
The InChIKey is QNDVHYGWUMHPPO-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-5-10-7-3-2-4-8(6,7)9/h6-7,9H,2-5H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol has a molecular weight of 142.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol is sourced from PubChem (CID 10582888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).