3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol

C15H24O — CID 75226749

IUPAC3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
SMILESC=C1CCC(C)C(C)=CC2C1CCC2(C)O
InChIInChI=1S/C15H24O/c1-10-5-6-11(2)13-7-8-15(4,16)14(13)9-12(10)3/h9-10,13-14,16H,2,5-8H2,1,3-4H3
InChIKeyLMBNOBPWWFAPHY-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds

About 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol

3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol (PubChem CID 75226749) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol.

Molecular Properties

Compound Name3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
PubChem CID75226749
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol
SMILESC=C1CCC(C)C(C)=CC2C1CCC2(C)O
InChIInChI=1S/C15H24O/c1-10-5-6-11(2)13-7-8-15(4,16)14(13)9-12(10)3/h9-10,13-14,16H,2,5-8H2,1,3-4H3
InChIKeyLMBNOBPWWFAPHY-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3aR,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 162899759
(1R,3aS,8aR)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 15934381
(1R,3aR,8aS)-1-methyl-4-methylidene-2,3,3a,5,6,8a-hexahydroazulen-1-ol
CID 10910137
3,8-dimethyl-12-methylidene-5-propan-2-yl-1,2,3a,6,7,10,11,12a-octahydrocyclopenta[11]annulene-3,6-diol
CID 72730573
(1S,2S,4aR,8R,8aS)-2,8-dimethyl-5-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,2-diol
CID 91895386
(1S,3aR,8aS)-1,4-dimethyl-7-propan-2-yl-3,3a,6,8a-tetrahydro-2H-azulen-1-ol
CID 10262917
1-methyl-2-methylidenecyclobutane
CID 20800914
(3S,3aR,4E,6S,8E,11Z,12aS)-3,8,12-trimethyl-5-propan-2-yl-2,3a,6,7,10,12a-hexahydro-1H-cyclopenta[11]annulene-3,6-diol
CID 122206510
(4aS,6S,9aR)-2,6,9,9-tetramethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene
CID 11241437
(1R,5R,6E,9S,10S)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-6-ene-5,10-diol
CID 163105865
(3aS,6aR,9R,9aS,9bR)-9-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
CID 44572681
ethyl (4aR,9aS)-5,5-dimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-3-carboxylate
CID 10869094

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol?
The IUPAC name of 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol (CID 75226749) is 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol.
What is the SMILES notation for 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol?
The canonical SMILES for 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol is C=C1CCC(C)C(C)=CC2C1CCC2(C)O.
What is the InChIKey of 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol?
The InChIKey is LMBNOBPWWFAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-11(2)13-7-8-15(4,16)14(13)9-12(10)3/h9-10,13-14,16H,2,5-8H2,1,3-4H3.
What are the key properties of 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol?
3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-9-methylidene-2,3a,6,7,8,9a-hexahydro-1H-cyclopenta[8]annulen-3-ol is sourced from PubChem (CID 75226749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).