2-tributylstannyltridec-1-en-4-yl carbonochloridate

C26H51ClO2Sn — CID 10053281

IUPAC2-tributylstannyltridec-1-en-4-yl carbonochloridate
SMILESC=C(CC(CCCCCCCCC)OC(=O)Cl)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H24ClO2.3C4H9.Sn/c1-3-5-6-7-8-9-10-12-13(11-4-2)17-14(15)16;3*1-3-4-2;/h13H,2-3,5-12H2,1H3;3*1,3-4H2,2H3;
InChIKeyRQRTZCPJKUIJTR-UHFFFAOYSA-N
MW549.86 g/mol
LogP10.21
Rot. Bonds21

About 2-tributylstannyltridec-1-en-4-yl carbonochloridate

2-tributylstannyltridec-1-en-4-yl carbonochloridate (PubChem CID 10053281) has the molecular formula C26H51ClO2Sn and a molecular weight of 549.86 g/mol. Its IUPAC name is 2-tributylstannyltridec-1-en-4-yl carbonochloridate.

Molecular Properties

Compound Name2-tributylstannyltridec-1-en-4-yl carbonochloridate
PubChem CID10053281
Molecular FormulaC26H51ClO2Sn
Molecular Weight549.86 g/mol
Exact Mass550.26
IUPAC Name2-tributylstannyltridec-1-en-4-yl carbonochloridate
SMILESC=C(CC(CCCCCCCCC)OC(=O)Cl)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C14H24ClO2.3C4H9.Sn/c1-3-5-6-7-8-9-10-12-13(11-4-2)17-14(15)16;3*1-3-4-2;/h13H,2-3,5-12H2,1H3;3*1,3-4H2,2H3;
InChIKeyRQRTZCPJKUIJTR-UHFFFAOYSA-N
XLogP10.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.86
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 54016264
[(3S)-1-oxotetradecan-3-yl] acetate
CID 118532907
[(3S)-nonan-3-yl] acetate
CID 76967958
(3R,5R)-3,5-diacetyloxyhexacosanoic acid
CID 102203179
3-prop-2-enoyloxypentadecanoic acid
CID 57233107
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040
16-hydroxyhexadecan-8-yl acetate
CID 175427631
1,1,1-trichlorotridecan-3-yl acetate
CID 101179539
3-tetradecanoyloxydodecanoic acid
CID 171117412
3-icosanoyloxynonanoic acid
CID 171117466
3-tridecanoyloxyundecanoic acid
CID 171117589

Frequently Asked Questions

What is the IUPAC name of 2-tributylstannyltridec-1-en-4-yl carbonochloridate?
The IUPAC name of 2-tributylstannyltridec-1-en-4-yl carbonochloridate (CID 10053281) is 2-tributylstannyltridec-1-en-4-yl carbonochloridate.
What is the SMILES notation for 2-tributylstannyltridec-1-en-4-yl carbonochloridate?
The canonical SMILES for 2-tributylstannyltridec-1-en-4-yl carbonochloridate is C=C(CC(CCCCCCCCC)OC(=O)Cl)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 2-tributylstannyltridec-1-en-4-yl carbonochloridate?
The InChIKey is RQRTZCPJKUIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClO2.3C4H9.Sn/c1-3-5-6-7-8-9-10-12-13(11-4-2)17-14(15)16;3*1-3-4-2;/h13H,2-3,5-12H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 2-tributylstannyltridec-1-en-4-yl carbonochloridate?
2-tributylstannyltridec-1-en-4-yl carbonochloridate has a molecular weight of 549.86 g/mol, XLogP of 10.21, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributylstannyltridec-1-en-4-yl carbonochloridate is sourced from PubChem (CID 10053281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).