1-(chloromethyl)-1-undec-10-enoxysilinane

C17H33ClOSi — CID 575282

IUPAC1-(chloromethyl)-1-undec-10-enoxysilinane
SMILESC=CCCCCCCCCCO[Si]1(CCl)CCCCC1
InChIInChI=1S/C17H33ClOSi/c1-2-3-4-5-6-7-8-9-11-14-19-20(17-18)15-12-10-13-16-20/h2H,1,3-17H2
InChIKeyFLJRGNXHWMFHAM-UHFFFAOYSA-N
MW316.99 g/mol
LogP6.22
Rot. Bonds12

About 1-(chloromethyl)-1-undec-10-enoxysilinane

1-(chloromethyl)-1-undec-10-enoxysilinane (PubChem CID 575282) has the molecular formula C17H33ClOSi and a molecular weight of 316.99 g/mol. Its IUPAC name is 1-(chloromethyl)-1-undec-10-enoxysilinane.

Molecular Properties

Compound Name1-(chloromethyl)-1-undec-10-enoxysilinane
PubChem CID575282
Molecular FormulaC17H33ClOSi
Molecular Weight316.99 g/mol
Exact Mass316.20
IUPAC Name1-(chloromethyl)-1-undec-10-enoxysilinane
SMILESC=CCCCCCCCCCO[Si]1(CCl)CCCCC1
InChIInChI=1S/C17H33ClOSi/c1-2-3-4-5-6-7-8-9-11-14-19-20(17-18)15-12-10-13-16-20/h2H,1,3-17H2
InChIKeyFLJRGNXHWMFHAM-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.99
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-undec-10-enoxysilinane
CID 575276
1-ethyl-1-octoxysilinane
CID 614794
12-dodec-11-enoxydodec-1-ene
CID 87325659
11-[3-[10-(3-chloropropoxy)decoxy]propoxy]undec-1-ene
CID 142736704
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
oct-7-enoxymethylcyclohexane
CID 53248071
chloromethyl-dimethyl-undec-10-enoxysilane
CID 554275
hex-5-enoxysilane
CID 123933799
cyclopentane;hept-1-ene
CID 159296541
hexadec-15-enyl carbonochloridate
CID 139984771
7-(trioxidanyl)hept-1-ene
CID 90829366

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-undec-10-enoxysilinane?
The IUPAC name of 1-(chloromethyl)-1-undec-10-enoxysilinane (CID 575282) is 1-(chloromethyl)-1-undec-10-enoxysilinane.
What is the SMILES notation for 1-(chloromethyl)-1-undec-10-enoxysilinane?
The canonical SMILES for 1-(chloromethyl)-1-undec-10-enoxysilinane is C=CCCCCCCCCCO[Si]1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-undec-10-enoxysilinane?
The InChIKey is FLJRGNXHWMFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33ClOSi/c1-2-3-4-5-6-7-8-9-11-14-19-20(17-18)15-12-10-13-16-20/h2H,1,3-17H2.
What are the key properties of 1-(chloromethyl)-1-undec-10-enoxysilinane?
1-(chloromethyl)-1-undec-10-enoxysilinane has a molecular weight of 316.99 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-undec-10-enoxysilinane is sourced from PubChem (CID 575282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).