(2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane

C17H32OSi — CID 15174762

IUPAC(2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
SMILESCC1=CC=CCC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-13(2)19(14(3)4,15(5)6)18-12-17-11-9-8-10-16(17)7/h8-10,13-15,17H,11-12H2,1-7H3
InChIKeyXTEVKJBXBJQCBC-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.70
Rot. Bonds6

About (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane

(2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane (PubChem CID 15174762) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
PubChem CID15174762
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name(2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
SMILESCC1=CC=CCC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32OSi/c1-13(2)19(14(3)4,15(5)6)18-12-17-11-9-8-10-16(17)7/h8-10,13-15,17H,11-12H2,1-7H3
InChIKeyXTEVKJBXBJQCBC-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.70
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

tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
(2-Fluoro-4,6-dimethylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
CID 123969334
[(2-Isopropenyl-5-methyl-4-hexenyl)oxy](trimethyl)silane
CID 552666
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
Dimethyl(bis([5-methyl-2-(1-methylethenyl)hex-4-en-1-yl]oxy))silane
CID 91700330
1,1,3,3-Tetramethyl-1,3-bis([5-methyl-2-(1-methylethenyl)hex-4-en-1-yl]oxy)disiloxane
CID 91700333
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(4Z,6E)-7,11-dimethyldodeca-4,6,10-trienoxy]-tri(propan-2-yl)silane
CID 11279999
tert-butyl-[(3R,4S,5Z)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148323
tert-butyl-[(3R,4S,5E)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148324
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane (CID 15174762) is (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane is CC1=CC=CCC1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
The InChIKey is XTEVKJBXBJQCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13(2)19(14(3)4,15(5)6)18-12-17-11-9-8-10-16(17)7/h8-10,13-15,17H,11-12H2,1-7H3.
What are the key properties of (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane?
(2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane has a molecular weight of 280.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15174762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).