(1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one

C18H30OSi — CID 10827383

IUPAC(1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one
SMILESC[C@]12CCC[C@@]1(C)[C@@H]1C(=O)[C@@]2(C)CC/C1=C\[Si](C)(C)C
InChIInChI=1S/C18H30OSi/c1-16-9-7-10-18(16,3)17(2)11-8-13(12-20(4,5)6)14(16)15(17)19/h12,14H,7-11H2,1-6H3/b13-12+/t14-,16-,17+,18-/m0/s1
InChIKeyJYMMDCRDFIDOCU-YBEPBBJNSA-N
MW290.52 g/mol
LogP4.99
Rot. Bonds1

About (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one

(1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one (PubChem CID 10827383) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one.

Molecular Properties

Compound Name(1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one
PubChem CID10827383
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name(1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one
SMILESC[C@]12CCC[C@@]1(C)[C@@H]1C(=O)[C@@]2(C)CC/C1=C\[Si](C)(C)C
InChIInChI=1S/C18H30OSi/c1-16-9-7-10-18(16,3)17(2)11-8-13(12-20(4,5)6)14(16)15(17)19/h12,14H,7-11H2,1-6H3/b13-12+/t14-,16-,17+,18-/m0/s1
InChIKeyJYMMDCRDFIDOCU-YBEPBBJNSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,6S,7R)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
CID 15819323
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-one
CID 12308774
(1R,2R,6S,7R)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-4-one
CID 15488852
(1R,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-3-one
CID 21576983
1,2,6-Trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-one
CID 14218184
(1S,2R,6S,7S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-9-one
CID 14218185
(1S,2R,6S,7S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-4-one
CID 101357023
1,2,6-Trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
CID 162902040
2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-one
CID 12308773
1-(2,6,6-Trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanyl)ethanone
CID 129637767
(1S,3AS,6AS)-1,3A,6A-Trimethyl-1-[(2E)-3-(trimethylsilyl)-2-propenyl]hexahydro-2(1H)-pentalenone
CID 90482617
4-Acetyl cedrene
CID 129714837

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one?
The IUPAC name of (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one (CID 10827383) is (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one.
What is the SMILES notation for (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one?
The canonical SMILES for (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one is C[C@]12CCC[C@@]1(C)[C@@H]1C(=O)[C@@]2(C)CC/C1=C\[Si](C)(C)C.
What is the InChIKey of (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one?
The InChIKey is JYMMDCRDFIDOCU-YBEPBBJNSA-N. The full InChI is InChI=1S/C18H30OSi/c1-16-9-7-10-18(16,3)17(2)11-8-13(12-20(4,5)6)14(16)15(17)19/h12,14H,7-11H2,1-6H3/b13-12+/t14-,16-,17+,18-/m0/s1.
What are the key properties of (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one?
(1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one has a molecular weight of 290.52 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,7S,8E)-1,2,6-trimethyl-8-(trimethylsilylmethylidene)tricyclo[5.3.1.02,6]undecan-11-one is sourced from PubChem (CID 10827383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).