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

C15H26O — CID 11368055

IUPAC(1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol
SMILESCC1(C)C[C@@H]2C[C@@]3(C)[C@@H](O)CC[C@@]3(C)[C@@H]2C1
InChIInChI=1S/C15H26O/c1-13(2)7-10-8-15(4)12(16)5-6-14(15,3)11(10)9-13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1
InChIKeyMIUZCESAFHFHFT-MUGBGTHKSA-N
MW222.37 g/mol
LogP3.61
Rot. Bonds

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

(1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol (PubChem CID 11368055) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol.

Molecular Properties

Compound Name(1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol
PubChem CID11368055
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol
SMILESCC1(C)C[C@@H]2C[C@@]3(C)[C@@H](O)CC[C@@]3(C)[C@@H]2C1
InChIInChI=1S/C15H26O/c1-13(2)7-10-8-15(4)12(16)5-6-14(15,3)11(10)9-13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1
InChIKeyMIUZCESAFHFHFT-MUGBGTHKSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol?
The IUPAC name of (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol (CID 11368055) is (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol.
What is the SMILES notation for (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol?
The canonical SMILES for (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol is CC1(C)C[C@@H]2C[C@@]3(C)[C@@H](O)CC[C@@]3(C)[C@@H]2C1.
What is the InChIKey of (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol?
The InChIKey is MIUZCESAFHFHFT-MUGBGTHKSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)7-10-8-15(4)12(16)5-6-14(15,3)11(10)9-13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15+/m1/s1.
What are the key properties of (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol?
(1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bR,6aR,7aR)-3a,5,5,7a-tetramethyl-1,2,3,3b,4,6,6a,7-octahydrocyclopenta[a]pentalen-1-ol is sourced from PubChem (CID 11368055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).