(1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane

C22H44OSi — CID 44518239

IUPAC(1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
SMILESC=C(CCCCCCCCCC)C(O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C22H44OSi/c1-6-7-8-9-10-11-12-14-17-20(2)22(23-24(3,4)5)21-18-15-13-16-19-21/h21-22H,2,6-19H2,1,3-5H3
InChIKeyDPNVCYZUAFWZDO-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.87
Rot. Bonds13

About (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane

(1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane (PubChem CID 44518239) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
PubChem CID44518239
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Name(1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
SMILESC=C(CCCCCCCCCC)C(O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C22H44OSi/c1-6-7-8-9-10-11-12-14-17-20(2)22(23-24(3,4)5)21-18-15-13-16-19-21/h21-22H,2,6-19H2,1,3-5H3
InChIKeyDPNVCYZUAFWZDO-UHFFFAOYSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isopulegol, [1R-(1alpha,2beta,5alpha)]-, TMS derivative
CID 588570
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
CID 11021914
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
(2,2-Dimethyl-4-methylidenetetradecan-3-yl)oxy-trimethylsilane
CID 134942941
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775
[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane
CID 135041468
trimethyl-[(1R,2S)-2-[(E)-4-trimethylsilylbut-3-en-2-yl]cyclohexyl]oxysilane
CID 135067883
(1-Cyclohexyl-2-methylprop-2-enoxy)-dimethyl-prop-2-enylsilane
CID 135079482

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane?
The IUPAC name of (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane (CID 44518239) is (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane.
What is the SMILES notation for (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane?
The canonical SMILES for (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane is C=C(CCCCCCCCCC)C(O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane?
The InChIKey is DPNVCYZUAFWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-6-7-8-9-10-11-12-14-17-20(2)22(23-24(3,4)5)21-18-15-13-16-19-21/h21-22H,2,6-19H2,1,3-5H3.
What are the key properties of (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane?
(1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane has a molecular weight of 352.68 g/mol, XLogP of 7.87, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-methylidenedodecoxy)-trimethylsilane is sourced from PubChem (CID 44518239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).