(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol

C15H24O2 — CID 139585100

IUPAC(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol
SMILESC[C@@H]1[C@H](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@]21C
InChIInChI=1S/C15H24O2/c1-8-12(16)5-11-9-6-14(2,3)7-10(9)13(17)15(8,11)4/h5,8-10,12-13,16-17H,6-7H2,1-4H3/t8-,9-,10+,12-,13+,15+/m1/s1
InChIKeyQRVSAVYBBHXMDC-HIEKWVOZSA-N
MW236.35 g/mol
LogP2.36
Rot. Bonds

About (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol

(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol (PubChem CID 139585100) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol.

Molecular Properties

Compound Name(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol
PubChem CID139585100
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol
SMILESC[C@@H]1[C@H](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@]21C
InChIInChI=1S/C15H24O2/c1-8-12(16)5-11-9-6-14(2,3)7-10(9)13(17)15(8,11)4/h5,8-10,12-13,16-17H,6-7H2,1-4H3/t8-,9-,10+,12-,13+,15+/m1/s1
InChIKeyQRVSAVYBBHXMDC-HIEKWVOZSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol?
The IUPAC name of (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol (CID 139585100) is (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol.
What is the SMILES notation for (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol?
The canonical SMILES for (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol is C[C@@H]1[C@H](O)C=C2[C@@H]3CC(C)(C)C[C@@H]3[C@H](O)[C@]21C.
What is the InChIKey of (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol?
The InChIKey is QRVSAVYBBHXMDC-HIEKWVOZSA-N. The full InChI is InChI=1S/C15H24O2/c1-8-12(16)5-11-9-6-14(2,3)7-10(9)13(17)15(8,11)4/h5,8-10,12-13,16-17H,6-7H2,1-4H3/t8-,9-,10+,12-,13+,15+/m1/s1.
What are the key properties of (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol?
(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol has a molecular weight of 236.35 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-tetramethyl-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-2,7-diol is sourced from PubChem (CID 139585100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).