di(butan-2-yloxy)-di(cyclohexen-1-yl)silane

C20H36O2Si — CID 139991741

IUPACdi(butan-2-yloxy)-di(cyclohexen-1-yl)silane
SMILESCCC(C)O[Si](OC(C)CC)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C20H36O2Si/c1-5-17(3)21-23(22-18(4)6-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h13,15,17-18H,5-12,14,16H2,1-4H3
InChIKeyNDPMLXKFRCQFDR-UHFFFAOYSA-N
MW336.59 g/mol
LogP6.14
Rot. Bonds8

About di(butan-2-yloxy)-di(cyclohexen-1-yl)silane

di(butan-2-yloxy)-di(cyclohexen-1-yl)silane (PubChem CID 139991741) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is di(butan-2-yloxy)-di(cyclohexen-1-yl)silane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-di(cyclohexen-1-yl)silane
PubChem CID139991741
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Namedi(butan-2-yloxy)-di(cyclohexen-1-yl)silane
SMILESCCC(C)O[Si](OC(C)CC)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C20H36O2Si/c1-5-17(3)21-23(22-18(4)6-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h13,15,17-18H,5-12,14,16H2,1-4H3
InChIKeyNDPMLXKFRCQFDR-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(cyclohexen-1-yl)-dipropoxysilane
CID 66598945
cyclohexen-1-yl-diethoxy-methylsilane
CID 13225409
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
[(1E)-cycloocten-1-yl]-trimethoxysilane
CID 22623529
(2R)-2-(cyclohexen-1-yloxy)propan-1-amine
CID 174454430
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
1-(cyclohexen-1-yl)-3-methylpentan-2-one
CID 116659851
cyclohepten-1-yl-[2-(cyclohepten-1-yl)ethoxy]-diethoxysilane
CID 69215916
diethyl 2-[(1R)-1-(cyclohexen-1-yl)ethyl]propanedioate
CID 11129313
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene
CID 66646162
ethyl (2R)-3-(cyclohexen-1-yl)-2-hydroxybutanoate
CID 101090880

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)-di(cyclohexen-1-yl)silane?
The IUPAC name of di(butan-2-yloxy)-di(cyclohexen-1-yl)silane (CID 139991741) is di(butan-2-yloxy)-di(cyclohexen-1-yl)silane.
What is the SMILES notation for di(butan-2-yloxy)-di(cyclohexen-1-yl)silane?
The canonical SMILES for di(butan-2-yloxy)-di(cyclohexen-1-yl)silane is CCC(C)O[Si](OC(C)CC)(C1=CCCCC1)C1=CCCCC1.
What is the InChIKey of di(butan-2-yloxy)-di(cyclohexen-1-yl)silane?
The InChIKey is NDPMLXKFRCQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-5-17(3)21-23(22-18(4)6-2,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h13,15,17-18H,5-12,14,16H2,1-4H3.
What are the key properties of di(butan-2-yloxy)-di(cyclohexen-1-yl)silane?
di(butan-2-yloxy)-di(cyclohexen-1-yl)silane has a molecular weight of 336.59 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-di(cyclohexen-1-yl)silane is sourced from PubChem (CID 139991741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).