tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane

C19H34OSi — CID 5366892

IUPACtert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane
SMILESCC1=CCCC(C)(C)/C1=C/C(C)=C\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-15(14-20-21(8,9)18(3,4)5)13-17-16(2)11-10-12-19(17,6)7/h11,13-14H,10,12H2,1-9H3/b15-14-,17-13+
InChIKeyFDEPTRVZYXFEGY-GFSUVLCASA-N
MW306.57 g/mol
LogP6.60
Rot. Bonds3

About tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane

tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane (PubChem CID 5366892) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane
PubChem CID5366892
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane
SMILESCC1=CCCC(C)(C)/C1=C/C(C)=C\O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-15(14-20-21(8,9)18(3,4)5)13-17-16(2)11-10-12-19(17,6)7/h11,13-14H,10,12H2,1-9H3/b15-14-,17-13+
InChIKeyFDEPTRVZYXFEGY-GFSUVLCASA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10905468
(2,4-Dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 11198863
Tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400085
tert-butyl-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]-dimethylsilane
CID 134978982
triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
CID 135002116
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
tert-butyl-[(2E,7E)-4-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
CID 10884955
trimethyl-[(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-enoxy]silane
CID 10923426
tert-butyl-dimethyl-[(2E,4Z,6E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienoxy]silane
CID 21729900

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane (CID 5366892) is tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane is CC1=CCCC(C)(C)/C1=C/C(C)=C\O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane?
The InChIKey is FDEPTRVZYXFEGY-GFSUVLCASA-N. The full InChI is InChI=1S/C19H34OSi/c1-15(14-20-21(8,9)18(3,4)5)13-17-16(2)11-10-12-19(17,6)7/h11,13-14H,10,12H2,1-9H3/b15-14-,17-13+.
What are the key properties of tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane?
tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane has a molecular weight of 306.57 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,3Z)-2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)prop-1-enoxy]silane is sourced from PubChem (CID 5366892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).