methyl 2-chloro-3-methyloct-2-enoate

C10H17ClO2 — CID 74061511

IUPACmethyl 2-chloro-3-methyloct-2-enoate
SMILESCCCCCC(C)=C(Cl)C(=O)OC
InChIInChI=1S/C10H17ClO2/c1-4-5-6-7-8(2)9(11)10(12)13-3/h4-7H2,1-3H3
InChIKeyOTYLPRNRDNKHNI-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.25
Rot. Bonds5

About methyl 2-chloro-3-methyloct-2-enoate

methyl 2-chloro-3-methyloct-2-enoate (PubChem CID 74061511) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is methyl 2-chloro-3-methyloct-2-enoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-methyloct-2-enoate
PubChem CID74061511
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Namemethyl 2-chloro-3-methyloct-2-enoate
SMILESCCCCCC(C)=C(Cl)C(=O)OC
InChIInChI=1S/C10H17ClO2/c1-4-5-6-7-8(2)9(11)10(12)13-3/h4-7H2,1-3H3
InChIKeyOTYLPRNRDNKHNI-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
methyl (Z)-2,3-dimethylhept-2-enoate
CID 15174020
3-Methyl-2-chlorohept-2-enoic acid, methyl ester
CID 6423319
Methyl 2-chloro-3-ethylpent-2-enoate
CID 19898055
methyl (E)-2-chloro-3-methyloct-2-enoate
CID 23544875
Methyl 2,3-dimethylhept-2-enoate
CID 72747001
Methyl 2-chloro-3-methylundec-2-enoate
CID 85980825
methyl (Z)-2-chloro-3-methylundec-2-enoate
CID 87935444
methyl (Z)-3-ethyl-2-methylnon-2-enoate
CID 140570994
methyl (Z)-2,3-dimethylnon-2-enoate
CID 141576534
Methyl 2-methyl-3-propylhex-2-enoate;stannane
CID 173397601
Methyl 3-ethyl-2-methylhex-2-enoate
CID 175016517

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-methyloct-2-enoate?
The IUPAC name of methyl 2-chloro-3-methyloct-2-enoate (CID 74061511) is methyl 2-chloro-3-methyloct-2-enoate.
What is the SMILES notation for methyl 2-chloro-3-methyloct-2-enoate?
The canonical SMILES for methyl 2-chloro-3-methyloct-2-enoate is CCCCCC(C)=C(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloro-3-methyloct-2-enoate?
The InChIKey is OTYLPRNRDNKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-4-5-6-7-8(2)9(11)10(12)13-3/h4-7H2,1-3H3.
What are the key properties of methyl 2-chloro-3-methyloct-2-enoate?
methyl 2-chloro-3-methyloct-2-enoate has a molecular weight of 204.70 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-methyloct-2-enoate is sourced from PubChem (CID 74061511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).