(1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol

C15H24O2 — CID 139586482

IUPAC(1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol
SMILESCC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C15H24O2/c1-13(2)7-9-10(8-13)14(3)6-5-11(16)15(14,4)12(9)17/h8-9,11-12,16-17H,5-7H2,1-4H3/t9-,11+,12-,14+,15-/m0/s1
InChIKeyRCYZLITTYILPNL-FASAMLHVSA-N
MW236.35 g/mol
LogP2.50
Rot. Bonds

About (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol

(1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol (PubChem CID 139586482) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol.

Molecular Properties

Compound Name(1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol
PubChem CID139586482
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol
SMILESCC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@H](O)CC[C@]21C
InChIInChI=1S/C15H24O2/c1-13(2)7-9-10(8-13)14(3)6-5-11(16)15(14,4)12(9)17/h8-9,11-12,16-17H,5-7H2,1-4H3/t9-,11+,12-,14+,15-/m0/s1
InChIKeyRCYZLITTYILPNL-FASAMLHVSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol with MolForge

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Related Compounds

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Cycloctat-9-ene-5,7,18-triol
CID 86289559
17-Hydroxycyclooctatin, (rel)-
CID 52937079
Subergorgiol
CID 636436
Dichomitol
CID 11459417
1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol
CID 9883561
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
CID 132282047
Chondroterpene G
CID 139589730
14-Hydroxy-modhephene
CID 42608196
Silphiperfol-5-en-3-ol A
CID 91747331

Frequently Asked Questions

What is the IUPAC name of (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol?
The IUPAC name of (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol (CID 139586482) is (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol.
What is the SMILES notation for (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol?
The canonical SMILES for (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol is CC1(C)C=C2[C@H](C1)[C@H](O)[C@]1(C)[C@H](O)CC[C@]21C.
What is the InChIKey of (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol?
The InChIKey is RCYZLITTYILPNL-FASAMLHVSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-9-10(8-13)14(3)6-5-11(16)15(14,4)12(9)17/h8-9,11-12,16-17H,5-7H2,1-4H3/t9-,11+,12-,14+,15-/m0/s1.
What are the key properties of (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol?
(1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol has a molecular weight of 236.35 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[a]pentalene-1,7-diol is sourced from PubChem (CID 139586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).