(3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol

C15H24O2 — CID 170988912

IUPAC(3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol
SMILESCC(C)=CCC[C@]1(C)C(C)=C[C@H]2OC[C@H](O)[C@H]21
InChIInChI=1S/C15H24O2/c1-10(2)6-5-7-15(4)11(3)8-13-14(15)12(16)9-17-13/h6,8,12-14,16H,5,7,9H2,1-4H3/t12-,13+,14+,15+/m0/s1
InChIKeyOUCLJRIVMPJXJR-GBJTYRQASA-N
MW236.35 g/mol
LogP3.07
Rot. Bonds3

About (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol

(3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol (PubChem CID 170988912) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol
PubChem CID170988912
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol
SMILESCC(C)=CCC[C@]1(C)C(C)=C[C@H]2OC[C@H](O)[C@H]21
InChIInChI=1S/C15H24O2/c1-10(2)6-5-7-15(4)11(3)8-13-14(15)12(16)9-17-13/h6,8,12-14,16H,5,7,9H2,1-4H3/t12-,13+,14+,15+/m0/s1
InChIKeyOUCLJRIVMPJXJR-GBJTYRQASA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol?
The IUPAC name of (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol (CID 170988912) is (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol.
What is the SMILES notation for (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol?
The canonical SMILES for (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol is CC(C)=CCC[C@]1(C)C(C)=C[C@H]2OC[C@H](O)[C@H]21.
What is the InChIKey of (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol?
The InChIKey is OUCLJRIVMPJXJR-GBJTYRQASA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)6-5-7-15(4)11(3)8-13-14(15)12(16)9-17-13/h6,8,12-14,16H,5,7,9H2,1-4H3/t12-,13+,14+,15+/m0/s1.
What are the key properties of (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol?
(3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol has a molecular weight of 236.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,4S,6aR)-4,5-dimethyl-4-(4-methylpent-3-enyl)-2,3,3a,6a-tetrahydrocyclopenta[b]furan-3-ol is sourced from PubChem (CID 170988912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).