5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol

C15H24O — CID 573115

IUPAC5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol
SMILESCC1(C)CC2C3=C(CCC3)C(C)(C)C2(O)C1
InChIInChI=1S/C15H24O/c1-13(2)8-12-10-6-5-7-11(10)14(3,4)15(12,16)9-13/h12,16H,5-9H2,1-4H3
InChIKeyZBWWWDMOADQCOJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds

About 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol

5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol (PubChem CID 573115) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol
PubChem CID573115
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol
SMILESCC1(C)CC2C3=C(CCC3)C(C)(C)C2(O)C1
InChIInChI=1S/C15H24O/c1-13(2)8-12-10-6-5-7-11(10)14(3,4)15(12,16)9-13/h12,16H,5-9H2,1-4H3
InChIKeyZBWWWDMOADQCOJ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol with MolForge

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Related Compounds

(3S,3aS,4Z,6S,9aR)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 46886692
(3R,3aR,4Z,6R,9aS)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 10727668
Dactylol
CID 11020496
(3R,3aS,6Z,9aS)-3,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 14262751
(3R,3aS,9aS)-3,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 162871417
(3S,3aS,6S,9aR)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 162927488
(3R,3aS,6R,9aS)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 162927489
(3R,3aS,4Z,6R,9aS)-3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
CID 163194330
(3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylidene-2,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-7a-ol
CID 24862246
(2S)-2,6,6,8-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
CID 155929534
(-)-Modheph-2-en-8beta-ol
CID 10585043
(5Z)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-ol
CID 5373363

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol?
The IUPAC name of 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol (CID 573115) is 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol.
What is the SMILES notation for 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol?
The canonical SMILES for 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol is CC1(C)CC2C3=C(CCC3)C(C)(C)C2(O)C1.
What is the InChIKey of 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol?
The InChIKey is ZBWWWDMOADQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)8-12-10-6-5-7-11(10)14(3,4)15(12,16)9-13/h12,16H,5-9H2,1-4H3.
What are the key properties of 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol?
5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol has a molecular weight of 220.36 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-1,2,3,3b,4,6-hexahydrocyclopenta[a]pentalen-6a-ol is sourced from PubChem (CID 573115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).