1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C18H26O — CID 126635647

IUPAC1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCCC12CC(Cc3ccc(O)cc31)CC(C)C2(C)C
InChIInChI=1S/C18H26O/c1-5-18-11-13(8-12(2)17(18,3)4)9-14-6-7-15(19)10-16(14)18/h6-7,10,12-13,19H,5,8-9,11H2,1-4H3
InChIKeyPGKITGXRWKKLOW-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.67
Rot. Bonds1

About 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 126635647) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID126635647
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCCC12CC(Cc3ccc(O)cc31)CC(C)C2(C)C
InChIInChI=1S/C18H26O/c1-5-18-11-13(8-12(2)17(18,3)4)9-14-6-7-15(19)10-16(14)18/h6-7,10,12-13,19H,5,8-9,11H2,1-4H3
InChIKeyPGKITGXRWKKLOW-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
(1R,9S)-10-(cyclopropylmethyl)-1-ethyl-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 76969780
(6R,8S)-8-butyl-6,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol;methanamine
CID 142380825
(1R)-10-ethyl-1,12-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 70822650
(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
CID 58380254
(1R)-1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 3058308
(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
CID 143977501
1-methyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
CID 20834073
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 70822651
(1R,9S,13S)-1-ethyl-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 3048844

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 126635647) is 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is CCC12CC(Cc3ccc(O)cc31)CC(C)C2(C)C.
What is the InChIKey of 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is PGKITGXRWKKLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-5-18-11-13(8-12(2)17(18,3)4)9-14-6-7-15(19)10-16(14)18/h6-7,10,12-13,19H,5,8-9,11H2,1-4H3.
What are the key properties of 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 258.40 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 126635647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).