(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol

C15H24O — CID 10262918

IUPAC(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol
SMILESC=C1[C@H]2[C@@H](C[C@@H]1O)C[C@]1(C)CCC(C)(C)[C@H]21
InChIInChI=1S/C15H24O/c1-9-11(16)7-10-8-15(4)6-5-14(2,3)13(15)12(9)10/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12-,13-,15-/m0/s1
InChIKeyRFAPNNWDJJWBPE-CXOVXGEYSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol

(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol (PubChem CID 10262918) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol.

Molecular Properties

Compound Name(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol
PubChem CID10262918
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol
SMILESC=C1[C@H]2[C@@H](C[C@@H]1O)C[C@]1(C)CCC(C)(C)[C@H]21
InChIInChI=1S/C15H24O/c1-9-11(16)7-10-8-15(4)6-5-14(2,3)13(15)12(9)10/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12-,13-,15-/m0/s1
InChIKeyRFAPNNWDJJWBPE-CXOVXGEYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
The IUPAC name of (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol (CID 10262918) is (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol.
What is the SMILES notation for (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
The canonical SMILES for (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol is C=C1[C@H]2[C@@H](C[C@@H]1O)C[C@]1(C)CCC(C)(C)[C@H]21.
What is the InChIKey of (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
The InChIKey is RFAPNNWDJJWBPE-CXOVXGEYSA-N. The full InChI is InChI=1S/C15H24O/c1-9-11(16)7-10-8-15(4)6-5-14(2,3)13(15)12(9)10/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12-,13-,15-/m0/s1.
What are the key properties of (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol?
(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-ol is sourced from PubChem (CID 10262918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).