2-methyldecanedioyl dichloride

C11H18Cl2O2 — CID 21217366

IUPAC2-methyldecanedioyl dichloride
SMILESCC(CCCCCCCC(=O)Cl)C(=O)Cl
InChIInChI=1S/C11H18Cl2O2/c1-9(11(13)15)7-5-3-2-4-6-8-10(12)14/h9H,2-8H2,1H3
InChIKeyMVTAAPFIMOSZPW-UHFFFAOYSA-N
MW253.17 g/mol
LogP3.88
Rot. Bonds9

About 2-methyldecanedioyl dichloride

2-methyldecanedioyl dichloride (PubChem CID 21217366) has the molecular formula C11H18Cl2O2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 2-methyldecanedioyl dichloride.

Molecular Properties

Compound Name2-methyldecanedioyl dichloride
PubChem CID21217366
Molecular FormulaC11H18Cl2O2
Molecular Weight253.17 g/mol
Exact Mass252.07
IUPAC Name2-methyldecanedioyl dichloride
SMILESCC(CCCCCCCC(=O)Cl)C(=O)Cl
InChIInChI=1S/C11H18Cl2O2/c1-9(11(13)15)7-5-3-2-4-6-8-10(12)14/h9H,2-8H2,1H3
InChIKeyMVTAAPFIMOSZPW-UHFFFAOYSA-N
XLogP3.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 53.88
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

8-methylhexadecanedioyl dichloride
CID 139686539
2-methyldecanoyl chloride
CID 19022279
(2S)-2-methyloctadecanoyl chloride
CID 88703138
2,3-dimethylnonadecanedioyl dichloride
CID 87117742
2,3-diethylheptadecanedioyl dichloride
CID 87116823
(Z,2S)-2-methyloctadec-9-enoyl chloride
CID 129408802
4-ethyltetradecanedioyl dichloride
CID 87116546
5-chlorohexanoyl chloride
CID 71757929
nonadecanoyl chloride
CID 4250939
(2R)-2-methylpentanoyl chloride
CID 7160703
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
10-(8-chlorooctyl)-9-nonylnonadecanoyl chloride
CID 87233514

Frequently Asked Questions

What is the IUPAC name of 2-methyldecanedioyl dichloride?
The IUPAC name of 2-methyldecanedioyl dichloride (CID 21217366) is 2-methyldecanedioyl dichloride.
What is the SMILES notation for 2-methyldecanedioyl dichloride?
The canonical SMILES for 2-methyldecanedioyl dichloride is CC(CCCCCCCC(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-methyldecanedioyl dichloride?
The InChIKey is MVTAAPFIMOSZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2O2/c1-9(11(13)15)7-5-3-2-4-6-8-10(12)14/h9H,2-8H2,1H3.
What are the key properties of 2-methyldecanedioyl dichloride?
2-methyldecanedioyl dichloride has a molecular weight of 253.17 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecanedioyl dichloride is sourced from PubChem (CID 21217366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).