1-chloroprop-1-en-2-yl 2-methylhex-2-enoate

C10H15ClO2 — CID 175033773

IUPAC1-chloroprop-1-en-2-yl 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)OC(C)=CCl
InChIInChI=1S/C10H15ClO2/c1-4-5-6-8(2)10(12)13-9(3)7-11/h6-7H,4-5H2,1-3H3
InChIKeyIBGRCVJXSWQXKV-UHFFFAOYSA-N
MW202.68 g/mol
LogP3.38
Rot. Bonds4

About 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate

1-chloroprop-1-en-2-yl 2-methylhex-2-enoate (PubChem CID 175033773) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate.

Molecular Properties

Compound Name1-chloroprop-1-en-2-yl 2-methylhex-2-enoate
PubChem CID175033773
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name1-chloroprop-1-en-2-yl 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)OC(C)=CCl
InChIInChI=1S/C10H15ClO2/c1-4-5-6-8(2)10(12)13-9(3)7-11/h6-7H,4-5H2,1-3H3
InChIKeyIBGRCVJXSWQXKV-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate?
The IUPAC name of 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate (CID 175033773) is 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate.
What is the SMILES notation for 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate?
The canonical SMILES for 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate is CCCC=C(C)C(=O)OC(C)=CCl.
What is the InChIKey of 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate?
The InChIKey is IBGRCVJXSWQXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-4-5-6-8(2)10(12)13-9(3)7-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate?
1-chloroprop-1-en-2-yl 2-methylhex-2-enoate has a molecular weight of 202.68 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-1-en-2-yl 2-methylhex-2-enoate is sourced from PubChem (CID 175033773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).