(E,3R)-3-methylhept-4-enoyl chloride

C8H13ClO — CID 10855777

IUPAC(E,3R)-3-methylhept-4-enoyl chloride
SMILESCC/C=C/[C@H](C)CC(=O)Cl
InChIInChI=1S/C8H13ClO/c1-3-4-5-7(2)6-8(9)10/h4-5,7H,3,6H2,1-2H3/b5-4+/t7-/m0/s1
InChIKeyYSRAVXKNZMGSJU-KPJROHGDSA-N
MW160.64 g/mol
LogP2.74
Rot. Bonds4

About (E,3R)-3-methylhept-4-enoyl chloride

(E,3R)-3-methylhept-4-enoyl chloride (PubChem CID 10855777) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is (E,3R)-3-methylhept-4-enoyl chloride.

Molecular Properties

Compound Name(E,3R)-3-methylhept-4-enoyl chloride
PubChem CID10855777
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name(E,3R)-3-methylhept-4-enoyl chloride
SMILESCC/C=C/[C@H](C)CC(=O)Cl
InChIInChI=1S/C8H13ClO/c1-3-4-5-7(2)6-8(9)10/h4-5,7H,3,6H2,1-2H3/b5-4+/t7-/m0/s1
InChIKeyYSRAVXKNZMGSJU-KPJROHGDSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-methylhept-4-enoyl chloride?
The IUPAC name of (E,3R)-3-methylhept-4-enoyl chloride (CID 10855777) is (E,3R)-3-methylhept-4-enoyl chloride.
What is the SMILES notation for (E,3R)-3-methylhept-4-enoyl chloride?
The canonical SMILES for (E,3R)-3-methylhept-4-enoyl chloride is CC/C=C/[C@H](C)CC(=O)Cl.
What is the InChIKey of (E,3R)-3-methylhept-4-enoyl chloride?
The InChIKey is YSRAVXKNZMGSJU-KPJROHGDSA-N. The full InChI is InChI=1S/C8H13ClO/c1-3-4-5-7(2)6-8(9)10/h4-5,7H,3,6H2,1-2H3/b5-4+/t7-/m0/s1.
What are the key properties of (E,3R)-3-methylhept-4-enoyl chloride?
(E,3R)-3-methylhept-4-enoyl chloride has a molecular weight of 160.64 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-methylhept-4-enoyl chloride is sourced from PubChem (CID 10855777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).