(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol

C15H24O — CID 24862246

IUPAC(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol
SMILESC=C1CC[C@]2(O)C[C@H]3CC(C)(C)C[C@H]3[C@]12C
InChIInChI=1S/C15H24O/c1-10-5-6-15(16)8-11-7-13(2,3)9-12(11)14(10,15)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,14+,15+/m1/s1
InChIKeyADMCUHNNMHTSLX-UXOAXIEHSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol

(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol (PubChem CID 24862246) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol.

Molecular Properties

Compound Name(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol
PubChem CID24862246
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol
SMILESC=C1CC[C@]2(O)C[C@H]3CC(C)(C)C[C@H]3[C@]12C
InChIInChI=1S/C15H24O/c1-10-5-6-15(16)8-11-7-13(2,3)9-12(11)14(10,15)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,14+,15+/m1/s1
InChIKeyADMCUHNNMHTSLX-UXOAXIEHSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol?
The IUPAC name of (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol (CID 24862246) is (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol.
What is the SMILES notation for (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol?
The canonical SMILES for (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol is C=C1CC[C@]2(O)C[C@H]3CC(C)(C)C[C@H]3[C@]12C.
What is the InChIKey of (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol?
The InChIKey is ADMCUHNNMHTSLX-UXOAXIEHSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-15(16)8-11-7-13(2,3)9-12(11)14(10,15)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,14+,15+/m1/s1.
What are the key properties of (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol?
(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol is sourced from PubChem (CID 24862246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).