[2-(1-dodecylcyclohexyl)oxan-2-yl]silane

C23H46OSi — CID 174047808

IUPAC[2-(1-dodecylcyclohexyl)oxan-2-yl]silane
SMILESCCCCCCCCCCCCC1(C2([SiH3])CCCCO2)CCCCC1
InChIInChI=1S/C23H46OSi/c1-2-3-4-5-6-7-8-9-10-12-17-22(18-13-11-14-19-22)23(25)20-15-16-21-24-23/h2-21H2,1,25H3
InChIKeySJHWQJILZFHCHN-UHFFFAOYSA-N
MW366.71 g/mol
LogP6.51
Rot. Bonds12

About [2-(1-dodecylcyclohexyl)oxan-2-yl]silane

[2-(1-dodecylcyclohexyl)oxan-2-yl]silane (PubChem CID 174047808) has the molecular formula C23H46OSi and a molecular weight of 366.71 g/mol. Its IUPAC name is [2-(1-dodecylcyclohexyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(1-dodecylcyclohexyl)oxan-2-yl]silane
PubChem CID174047808
Molecular FormulaC23H46OSi
Molecular Weight366.71 g/mol
Exact Mass366.33
IUPAC Name[2-(1-dodecylcyclohexyl)oxan-2-yl]silane
SMILESCCCCCCCCCCCCC1(C2([SiH3])CCCCO2)CCCCC1
InChIInChI=1S/C23H46OSi/c1-2-3-4-5-6-7-8-9-10-12-17-22(18-13-11-14-19-22)23(25)20-15-16-21-24-23/h2-21H2,1,25H3
InChIKeySJHWQJILZFHCHN-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.71
LogP ≤ 56.51
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'}

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Related Compounds

[2-[2-(2-Silyloxan-2-yl)propan-2-yl]oxan-2-yl]silane
CID 123347658
(2-Cyclohexyloxan-2-yl)-dimethylsilane
CID 123417234
[2-(Cyclohexylmethyl)oxan-2-yl]silane
CID 123591817
(2-Tert-butyloxan-2-yl)silane
CID 123678616
[2-(2,3,4-Trimethylpentan-2-yl)oxan-2-yl]silane
CID 123785873
(2-Cyclohexyloxan-2-yl)silane
CID 123910977
[2-(3-Ethylpentan-3-yl)oxan-2-yl]silane
CID 123983141
Dimethyl-(2-nonadecan-2-yloxan-2-yl)silane
CID 173259116
[2-(1-Methylcyclopentyl)oxan-2-yl]silane
CID 173309953
[2-(1-Methylcyclohexyl)oxan-2-yl]silane
CID 173311837
[2-(4-Propylheptan-4-yl)oxan-2-yl]silane
CID 173527791
[2-(2,3-Dimethylbutan-2-yl)oxan-2-yl]silane
CID 174049535

Frequently Asked Questions

What is the IUPAC name of [2-(1-dodecylcyclohexyl)oxan-2-yl]silane?
The IUPAC name of [2-(1-dodecylcyclohexyl)oxan-2-yl]silane (CID 174047808) is [2-(1-dodecylcyclohexyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(1-dodecylcyclohexyl)oxan-2-yl]silane?
The canonical SMILES for [2-(1-dodecylcyclohexyl)oxan-2-yl]silane is CCCCCCCCCCCCC1(C2([SiH3])CCCCO2)CCCCC1.
What is the InChIKey of [2-(1-dodecylcyclohexyl)oxan-2-yl]silane?
The InChIKey is SJHWQJILZFHCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OSi/c1-2-3-4-5-6-7-8-9-10-12-17-22(18-13-11-14-19-22)23(25)20-15-16-21-24-23/h2-21H2,1,25H3.
What are the key properties of [2-(1-dodecylcyclohexyl)oxan-2-yl]silane?
[2-(1-dodecylcyclohexyl)oxan-2-yl]silane has a molecular weight of 366.71 g/mol, XLogP of 6.51, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-dodecylcyclohexyl)oxan-2-yl]silane is sourced from PubChem (CID 174047808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).