tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane

C21H40OSi — CID 10914679

IUPACtert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane
SMILESCC1=CCC[C@@H](C)[C@]1(C)C/C=C(\C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-17(14-16-22-23(8,9)20(4,5)6)13-15-21(7)18(2)11-10-12-19(21)3/h11,13,19H,10,12,14-16H2,1-9H3/b17-13+/t19-,21-/m1/s1
InChIKeyGNPMBACTTBXIGH-VVDGQQEKSA-N
MW336.64 g/mol
LogP7.12
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane

tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane (PubChem CID 10914679) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane
PubChem CID10914679
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane
SMILESCC1=CCC[C@@H](C)[C@]1(C)C/C=C(\C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-17(14-16-22-23(8,9)20(4,5)6)13-15-21(7)18(2)11-10-12-19(21)3/h11,13,19H,10,12,14-16H2,1-9H3/b17-13+/t19-,21-/m1/s1
InChIKeyGNPMBACTTBXIGH-VVDGQQEKSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 57.12
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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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
Triethoxy[2-(4-methylcyclohex-3-en-1-yl)propyl]silane
CID 13650253
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
CID 11452085
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
tert-butyl-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]-dimethylsilane
CID 134978982
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892
Triethyl-(5-methyl-2-prop-1-en-2-ylhex-4-enoxy)silane
CID 53306851
ethenyl-dimethyl-[(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 17789835

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane (CID 10914679) is tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane is CC1=CCC[C@@H](C)[C@]1(C)C/C=C(\C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane?
The InChIKey is GNPMBACTTBXIGH-VVDGQQEKSA-N. The full InChI is InChI=1S/C21H40OSi/c1-17(14-16-22-23(8,9)20(4,5)6)13-15-21(7)18(2)11-10-12-19(21)3/h11,13,19H,10,12,14-16H2,1-9H3/b17-13+/t19-,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane?
tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane has a molecular weight of 336.64 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-3-enoxy]silane is sourced from PubChem (CID 10914679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).