(4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol

C15H24O2 — CID 25231271

IUPAC(4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol
SMILESCC1(C)C[C@H]2[C@H](O)C(CO)=C3CC[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-14(2)6-9-12(7-14)15(3)5-4-11(15)10(8-16)13(9)17/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13+,15+/m1/s1
InChIKeyRUUOBEGCMNHGCW-IRIUXVKKSA-N
MW236.35 g/mol
LogP2.50
Rot. Bonds1

About (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol

(4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol (PubChem CID 25231271) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol.

Molecular Properties

Compound Name(4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol
PubChem CID25231271
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol
SMILESCC1(C)C[C@H]2[C@H](O)C(CO)=C3CC[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-14(2)6-9-12(7-14)15(3)5-4-11(15)10(8-16)13(9)17/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13+,15+/m1/s1
InChIKeyRUUOBEGCMNHGCW-IRIUXVKKSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol?
The IUPAC name of (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol (CID 25231271) is (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol.
What is the SMILES notation for (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol?
The canonical SMILES for (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol is CC1(C)C[C@H]2[C@H](O)C(CO)=C3CC[C@]3(C)[C@H]2C1.
What is the InChIKey of (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol?
The InChIKey is RUUOBEGCMNHGCW-IRIUXVKKSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)6-9-12(7-14)15(3)5-4-11(15)10(8-16)13(9)17/h9,12-13,16-17H,4-8H2,1-3H3/t9-,12+,13+,15+/m1/s1.
What are the key properties of (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol?
(4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol has a molecular weight of 236.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aR,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-4-ol is sourced from PubChem (CID 25231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).