(5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol

C20H34O — CID 164666008

IUPAC(5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol
SMILESC/C1=C\CC2(C)CCC(C(C)C)C2CC(O)/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-14(2)17-10-12-20(5)11-9-15(3)7-6-8-16(4)19(21)13-18(17)20/h8-9,14,17-19,21H,6-7,10-13H2,1-5H3/b15-9+,16-8+
InChIKeyBEEOTVVNTUEKJG-CBMFITSNSA-N
MW290.49 g/mol
LogP5.50
Rot. Bonds1

About (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol

(5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol (PubChem CID 164666008) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol.

Molecular Properties

Compound Name(5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol
PubChem CID164666008
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol
SMILESC/C1=C\CC2(C)CCC(C(C)C)C2CC(O)/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-14(2)17-10-12-20(5)11-9-15(3)7-6-8-16(4)19(21)13-18(17)20/h8-9,14,17-19,21H,6-7,10-13H2,1-5H3/b15-9+,16-8+
InChIKeyBEEOTVVNTUEKJG-CBMFITSNSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol with MolForge

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Related Compounds

3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydrocyclopenta[11]annulene-1,11-diol
CID 74052674
(1S,2E,5S,6S,9R,11E)-2,9,12,16-tetramethyl-6-propan-2-yltricyclo[13.3.0.05,9]octadeca-2,11,15-triene
CID 162422405
(1S,4S,4aR,7R,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,7-diol
CID 44566715
(1S,2R,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol
CID 101006297
1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol
CID 163114143
(1R,2Z,7Z,11Z,15S,16R)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
CID 171666165
(1R,2Z,7Z,11Z,15S,16S)-1,8,12-trimethyl-4-methylidene-16-propan-2-ylbicyclo[13.3.0]octadeca-2,7,11-triene
CID 171666166
(1R,3aR,5Z,9Z,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-1,2,3,4,7,8,12,12a-octahydrocyclopenta[11]annulen-11-one
CID 177418332
1-[(1S,3aS,8aR)-3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl]ethanone
CID 11805884
(2E,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 13255921
[(1S,3Z,7Z,11R,12R,13R,16R)-1,4,16-trimethyl-13-prop-1-en-2-yl-8-tricyclo[9.7.0.012,16]octadeca-3,7-dienyl]methanol
CID 162976577
(1R,3S,5R,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-ol
CID 162884566

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol?
The IUPAC name of (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol (CID 164666008) is (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol.
What is the SMILES notation for (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol?
The canonical SMILES for (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol is C/C1=C\CC2(C)CCC(C(C)C)C2CC(O)/C(C)=C/CC1.
What is the InChIKey of (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol?
The InChIKey is BEEOTVVNTUEKJG-CBMFITSNSA-N. The full InChI is InChI=1S/C20H34O/c1-14(2)17-10-12-20(5)11-9-15(3)7-6-8-16(4)19(21)13-18(17)20/h8-9,14,17-19,21H,6-7,10-13H2,1-5H3/b15-9+,16-8+.
What are the key properties of (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol?
(5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol has a molecular weight of 290.49 g/mol, XLogP of 5.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-3a,6,10-trimethyl-1-propan-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-11-ol is sourced from PubChem (CID 164666008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).