1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol

C20H34O — CID 163114143

IUPAC1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol
SMILESCC1=C2CCC(C)C2CC2(C)CCC(C(C)C)C2CC1O
InChIInChI=1S/C20H34O/c1-12(2)15-8-9-20(5)11-17-13(3)6-7-16(17)14(4)19(21)10-18(15)20/h12-13,15,17-19,21H,6-11H2,1-5H3
InChIKeyUTKYTZOMCJFOEM-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.19
Rot. Bonds1

About 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol

1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol (PubChem CID 163114143) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol.

Molecular Properties

Compound Name1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol
PubChem CID163114143
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol
SMILESCC1=C2CCC(C)C2CC2(C)CCC(C(C)C)C2CC1O
InChIInChI=1S/C20H34O/c1-12(2)15-8-9-20(5)11-17-13(3)6-7-16(17)14(4)19(21)10-18(15)20/h12-13,15,17-19,21H,6-11H2,1-5H3
InChIKeyUTKYTZOMCJFOEM-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
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

(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
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
(1S,2R,5R,6S,9R,13S,16S,17R)-5,9,10,13-tetramethyl-16-propan-2-ylpentacyclo[9.7.0.02,6.02,9.013,17]octadec-10-ene
CID 155802526
(1R,2S,5S,6R,9R,11R,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadecan-10-one
CID 95565368
(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,5S,6S,7S,9E,11S,13S,16S,17S)-2,6,13-trimethyl-16-propan-2-yl-5-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,7.013,17]octadeca-2,9-diene-10-carbaldehyde
CID 163062851
4,4,7-trimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CID 72512205
3a-hydroxy-1,4,8a-trimethyl-6-propan-2-yl-3,4,5,5a,6,7,8,9-octahydrocyclopenta[f]azulen-2-one
CID 162977968
(1S,2S,4S,5S,8R,10S,11S,14R,15S,18R)-1,8,10,15-tetramethyl-5-propan-2-ylpentacyclo[9.7.0.02,15.04,8.014,18]octadecan-11-ol
CID 156582160
(3aS,4S,5aS,6R,8aR)-3a-hydroxy-1,4,8a-trimethyl-6-propan-2-yl-3,4,5,5a,6,7,8,9-octahydrocyclopenta[f]azulen-2-one
CID 162977969
(1S,4R,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 11990360
(4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 6428325

Frequently Asked Questions

What is the IUPAC name of 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol?
The IUPAC name of 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol (CID 163114143) is 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol.
What is the SMILES notation for 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol?
The canonical SMILES for 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol is CC1=C2CCC(C)C2CC2(C)CCC(C(C)C)C2CC1O.
What is the InChIKey of 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol?
The InChIKey is UTKYTZOMCJFOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-12(2)15-8-9-20(5)11-17-13(3)6-7-16(17)14(4)19(21)10-18(15)20/h12-13,15,17-19,21H,6-11H2,1-5H3.
What are the key properties of 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol?
1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol has a molecular weight of 290.49 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-7-en-9-ol is sourced from PubChem (CID 163114143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).