(1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane

C19H34OSi — CID 101240481

IUPAC(1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane
SMILESC=CCCC1(CO[Si](C)(C)C(C)(C)C)C(=C)CCCC1=C
InChIInChI=1S/C19H34OSi/c1-9-10-14-19(16(2)12-11-13-17(19)3)15-20-21(7,8)18(4,5)6/h9H,1-3,10-15H2,4-8H3
InChIKeyDFANEFODCDCVHQ-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.26
Rot. Bonds6

About (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane

(1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 101240481) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane
PubChem CID101240481
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name(1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane
SMILESC=CCCC1(CO[Si](C)(C)C(C)(C)C)C(=C)CCCC1=C
InChIInChI=1S/C19H34OSi/c1-9-10-14-19(16(2)12-11-13-17(19)3)15-20-21(7,8)18(4,5)6/h9H,1-3,10-15H2,4-8H3
InChIKeyDFANEFODCDCVHQ-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.26
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

tert-butyl-[(2R)-2-ethenyloctoxy]-dimethylsilane
CID 11818090
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
Tert-butyl-dimethyl-(9-methyl-9-prop-2-enyldodec-11-enoxy)silane
CID 46185276
tert-butyl-[(2S)-2-ethenyloctoxy]-dimethylsilane
CID 102331827
(2-Ethenyl-3-methylidenenonoxy)-triethylsilane
CID 139253721
[(6R)-6-cyclohexyloct-7-enoxy]-tri(propan-2-yl)silane
CID 176426908
[2-Ethenyl-6-methyl-2-(4-methylpent-4-enyl)hept-6-enoxy]-triethylsilane
CID 10545841
8-(Tert-butyldimethylsilyloxy)-3-butyloct-1-ene
CID 18790897
Trimethyl-(2-propyl-3-trimethylsilyldodec-11-enoxy)silane
CID 20725103
[1-(Allylcyclohexyl)methoxy]triethylsilane
CID 23021184
tert-butyl-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethoxy]-dimethylsilane
CID 139775020
Tert-butyl-dimethyl-(4,4,6,8,12-pentamethylheptadeca-12,16-dienoxy)silane
CID 153790340

Frequently Asked Questions

What is the IUPAC name of (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane (CID 101240481) is (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane is C=CCCC1(CO[Si](C)(C)C(C)(C)C)C(=C)CCCC1=C.
What is the InChIKey of (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is DFANEFODCDCVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-9-10-14-19(16(2)12-11-13-17(19)3)15-20-21(7,8)18(4,5)6/h9H,1-3,10-15H2,4-8H3.
What are the key properties of (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane?
(1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-enyl-2,6-dimethylidenecyclohexyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101240481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).