(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol

C9H14O2 — CID 58231579

IUPAC(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
SMILESCC1=CC[C@]2(O)C[C@H](C)O[C@H]12
InChIInChI=1S/C9H14O2/c1-6-3-4-9(10)5-7(2)11-8(6)9/h3,7-8,10H,4-5H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyGFCMHRQRDKDDNT-YIZRAAEISA-N
MW154.21 g/mol
LogP1.24
Rot. Bonds

About (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol

(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol (PubChem CID 58231579) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol.

Molecular Properties

Compound Name(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
PubChem CID58231579
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
SMILESCC1=CC[C@]2(O)C[C@H](C)O[C@H]12
InChIInChI=1S/C9H14O2/c1-6-3-4-9(10)5-7(2)11-8(6)9/h3,7-8,10H,4-5H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyGFCMHRQRDKDDNT-YIZRAAEISA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol with MolForge

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Related Compounds

Jatamanin K
CID 46211184
Laevigatol B
CID 52920791
(3aS,4R,6aS)-6,6a-bis(hydroxymethyl)-2,3,3a,4-tetrahydrocyclopenta[b]furan-4-ol
CID 10797629
[6a-(Hydroxymethyl)-3-methylidene-3a,4-dihydrocyclopenta[b]furan-6-yl]methanol
CID 75149777
CID 162869435
CID 162869435
(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10702711
(3S,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10773904
Penicillar E
CID 139586334
Eutypeterpene O
CID 170988912
(5E,9E)-13-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9,13-trien-2-ol
CID 15275934
(2S,3S,3aR,6aR)-3-fluoro-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
CID 58231563
(2S,3R,3aR,6aR)-3-fluoro-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol
CID 58231573

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
The IUPAC name of (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol (CID 58231579) is (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol.
What is the SMILES notation for (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
The canonical SMILES for (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol is CC1=CC[C@]2(O)C[C@H](C)O[C@H]12.
What is the InChIKey of (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
The InChIKey is GFCMHRQRDKDDNT-YIZRAAEISA-N. The full InChI is InChI=1S/C9H14O2/c1-6-3-4-9(10)5-7(2)11-8(6)9/h3,7-8,10H,4-5H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol?
(2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol has a molecular weight of 154.21 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aR)-2,6-dimethyl-2,3,4,6a-tetrahydrocyclopenta[b]furan-3a-ol is sourced from PubChem (CID 58231579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).