(Z,2S)-2-methyloctadec-9-enoyl chloride

C19H35ClO — CID 129408802

IUPAC(Z,2S)-2-methyloctadec-9-enoyl chloride
SMILESCCCCCCCC/C=C\CCCCCC[C@H](C)C(=O)Cl
InChIInChI=1S/C19H35ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3/b11-10-/t18-/m0/s1
InChIKeyPUZCVRUVLGFMQO-LENZSSGSSA-N
MW314.94 g/mol
LogP7.04
Rot. Bonds15

About (Z,2S)-2-methyloctadec-9-enoyl chloride

(Z,2S)-2-methyloctadec-9-enoyl chloride (PubChem CID 129408802) has the molecular formula C19H35ClO and a molecular weight of 314.94 g/mol. Its IUPAC name is (Z,2S)-2-methyloctadec-9-enoyl chloride.

Molecular Properties

Compound Name(Z,2S)-2-methyloctadec-9-enoyl chloride
PubChem CID129408802
Molecular FormulaC19H35ClO
Molecular Weight314.94 g/mol
Exact Mass314.24
IUPAC Name(Z,2S)-2-methyloctadec-9-enoyl chloride
SMILESCCCCCCCC/C=C\CCCCCC[C@H](C)C(=O)Cl
InChIInChI=1S/C19H35ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3/b11-10-/t18-/m0/s1
InChIKeyPUZCVRUVLGFMQO-LENZSSGSSA-N
XLogP7.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.94
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyldecanoyl chloride
CID 19022279
(2S)-2-methyloctadecanoyl chloride
CID 88703138
(E)-2-methyloctadec-9-enamide
CID 19371032
2-methylicosa-11,14-dienamide
CID 175746328
2-methyldocosa-7,10,13,16-tetraenoic acid
CID 173392719
octacos-21-en-10-ol
CID 163011476
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
(8E,10E,12Z)-2-methyloctadeca-8,10,12-trienoic acid
CID 87447749
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234
2-hexadec-7-enylpropanedioic acid
CID 173063889
(Z)-henicos-12-en-2-ol
CID 141141779

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-methyloctadec-9-enoyl chloride?
The IUPAC name of (Z,2S)-2-methyloctadec-9-enoyl chloride (CID 129408802) is (Z,2S)-2-methyloctadec-9-enoyl chloride.
What is the SMILES notation for (Z,2S)-2-methyloctadec-9-enoyl chloride?
The canonical SMILES for (Z,2S)-2-methyloctadec-9-enoyl chloride is CCCCCCCC/C=C\CCCCCC[C@H](C)C(=O)Cl.
What is the InChIKey of (Z,2S)-2-methyloctadec-9-enoyl chloride?
The InChIKey is PUZCVRUVLGFMQO-LENZSSGSSA-N. The full InChI is InChI=1S/C19H35ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3/b11-10-/t18-/m0/s1.
What are the key properties of (Z,2S)-2-methyloctadec-9-enoyl chloride?
(Z,2S)-2-methyloctadec-9-enoyl chloride has a molecular weight of 314.94 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-methyloctadec-9-enoyl chloride is sourced from PubChem (CID 129408802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).