(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol

C15H26O — CID 11020496

IUPAC(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
SMILESC/C1=C/CC(C)(C)C[C@H]2[C@H](C)CC[C@]2(O)C1
InChIInChI=1S/C15H26O/c1-11-5-7-14(3,4)10-13-12(2)6-8-15(13,16)9-11/h5,12-13,16H,6-10H2,1-4H3/b11-5-/t12-,13+,15+/m1/s1
InChIKeyFRGHPWUZLHMCQW-BBOSXGCTSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds

About (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol

(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol (PubChem CID 11020496) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol.

Molecular Properties

Compound Name(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
PubChem CID11020496
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
SMILESC/C1=C/CC(C)(C)C[C@H]2[C@H](C)CC[C@]2(O)C1
InChIInChI=1S/C15H26O/c1-11-5-7-14(3,4)10-13-12(2)6-8-15(13,16)9-11/h5,12-13,16H,6-10H2,1-4H3/b11-5-/t12-,13+,15+/m1/s1
InChIKeyFRGHPWUZLHMCQW-BBOSXGCTSA-N
XLogP3.92
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 ≤ 53.92
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 (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol?
The IUPAC name of (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol (CID 11020496) is (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol.
What is the SMILES notation for (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol?
The canonical SMILES for (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol is C/C1=C/CC(C)(C)C[C@H]2[C@H](C)CC[C@]2(O)C1.
What is the InChIKey of (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol?
The InChIKey is FRGHPWUZLHMCQW-BBOSXGCTSA-N. The full InChI is InChI=1S/C15H26O/c1-11-5-7-14(3,4)10-13-12(2)6-8-15(13,16)9-11/h5,12-13,16H,6-10H2,1-4H3/b11-5-/t12-,13+,15+/m1/s1.
What are the key properties of (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol?
(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol is sourced from PubChem (CID 11020496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).