(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol

C15H26O3 — CID 10800959

IUPAC(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
SMILESC[C@H]1[C@H](O)C[C@@]2(O)C[C@]3(O)CC(C)(C)C[C@@H]3[C@@]12C
InChIInChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m0/s1
InChIKeyMXIZCSZWQVEQQV-MRIXOBAXSA-N
MW254.37 g/mol
LogP1.70
Rot. Bonds

About (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol

(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol (PubChem CID 10800959) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol.

Molecular Properties

Compound Name(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
PubChem CID10800959
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
SMILESC[C@H]1[C@H](O)C[C@@]2(O)C[C@]3(O)CC(C)(C)C[C@@H]3[C@@]12C
InChIInChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m0/s1
InChIKeyMXIZCSZWQVEQQV-MRIXOBAXSA-N
XLogP1.70
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol with MolForge

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Related Compounds

(2S,3R,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
CID 14487977
(3aS,3bR,5S,6aR,7aR)-7a-(hydroxymethyl)-3,3-dimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-3b,5-diol
CID 24862230
(1R,2R,3S,4R,5R,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,4,5,7,8,10,12-heptol
CID 21593933
(1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
CID 154496830
3,3,7a-trimethyl-4-methylidene-2,3a,5,6,6a,7-hexahydro-1H-cyclopenta[b]pentalene-3b,5,7-triol
CID 318121
Chondroterpene F
CID 139589729
2,6,6,12-Tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,4,5,7,8,10,12-heptol
CID 73810145
Kalmanol
CID 101607756
Ceratopicanol
CID 11831043
(2S,3S,3aS,3bR,6aS,7S,7aR)-2,3,3a,5,5-pentamethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-7-ol
CID 139584314
Hirsutenol E
CID 139586952
Hirsutuminoid M
CID 170989688

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol?
The IUPAC name of (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol (CID 10800959) is (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol.
What is the SMILES notation for (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol?
The canonical SMILES for (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol is C[C@H]1[C@H](O)C[C@@]2(O)C[C@]3(O)CC(C)(C)C[C@@H]3[C@@]12C.
What is the InChIKey of (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol?
The InChIKey is MXIZCSZWQVEQQV-MRIXOBAXSA-N. The full InChI is InChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m0/s1.
What are the key properties of (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol?
(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol has a molecular weight of 254.37 g/mol, XLogP of 1.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol is sourced from PubChem (CID 10800959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).