1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one

C19H36OSi — CID 552408

IUPAC1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one
SMILESC=C1CCCC(C)(C)C1CCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-15-11-10-14-19(5,6)16(15)12-9-13-17(20)21(7,8)18(2,3)4/h16H,1,9-14H2,2-8H3
InChIKeyRDHMAYLDKJYMTQ-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.16
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one

1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one (PubChem CID 552408) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one
PubChem CID552408
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one
SMILESC=C1CCCC(C)(C)C1CCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-15-11-10-14-19(5,6)16(15)12-9-13-17(20)21(7,8)18(2,3)4/h16H,1,9-14H2,2-8H3
InChIKeyRDHMAYLDKJYMTQ-UHFFFAOYSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 154497742
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]acetic acid
CID 130663138
2-(2-chloroethyl)-1,1-dimethyl-3-methylidenecyclohexane
CID 71402169
6-[tert-butyl(dimethyl)silyl]oxy-1-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylhex-4-yn-3-ol
CID 10546759
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpentanoic acid
CID 75163682
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
2-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-2-methyloxolane
CID 177002588
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
5-[3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-en-1-ol
CID 162888501
N-[(2,2-dimethyl-6-methylidenecyclohexyl)methyl]-N-ethylethanamine
CID 11085067

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one (CID 552408) is 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one is C=C1CCCC(C)(C)C1CCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one?
The InChIKey is RDHMAYLDKJYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-15-11-10-14-19(5,6)16(15)12-9-13-17(20)21(7,8)18(2,3)4/h16H,1,9-14H2,2-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one?
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one has a molecular weight of 308.58 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-1-one is sourced from PubChem (CID 552408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).