7-chlorooct-7-enyl acetate

C10H17ClO2 — CID 24722134

IUPAC7-chlorooct-7-enyl acetate
SMILESC=C(Cl)CCCCCCOC(C)=O
InChIInChI=1S/C10H17ClO2/c1-9(11)7-5-3-4-6-8-13-10(2)12/h1,3-8H2,2H3
InChIKeyMSMQHFBWHMSHOF-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.25
Rot. Bonds7

About 7-chlorooct-7-enyl acetate

7-chlorooct-7-enyl acetate (PubChem CID 24722134) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 7-chlorooct-7-enyl acetate.

Molecular Properties

Compound Name7-chlorooct-7-enyl acetate
PubChem CID24722134
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name7-chlorooct-7-enyl acetate
SMILESC=C(Cl)CCCCCCOC(C)=O
InChIInChI=1S/C10H17ClO2/c1-9(11)7-5-3-4-6-8-13-10(2)12/h1,3-8H2,2H3
InChIKeyMSMQHFBWHMSHOF-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Related Compounds

13-acetyloxytridecanoic acid
CID 10084643
22-acetyloxydocosanoic acid
CID 91481566
11-acetyloxyundecyl acetate
CID 87784419
5-acetyloxypentanoic acid
CID 12642003
(10-bromo-10-oxodecyl) acetate
CID 141175497
icosanoic acid;octadecyl acetate
CID 160822972
8-chlorooctyl acetate
CID 527879
ethene;nonyl acetate
CID 170451195
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
6-oxononyl acetate
CID 121216271
[(7S,8S)-7,8-diacetyloxy-16-chloro-16-oxohexadecyl] acetate
CID 10928450
9-(2-methylprop-2-enoyloxy)nonanoic acid
CID 58887171

Frequently Asked Questions

What is the IUPAC name of 7-chlorooct-7-enyl acetate?
The IUPAC name of 7-chlorooct-7-enyl acetate (CID 24722134) is 7-chlorooct-7-enyl acetate.
What is the SMILES notation for 7-chlorooct-7-enyl acetate?
The canonical SMILES for 7-chlorooct-7-enyl acetate is C=C(Cl)CCCCCCOC(C)=O.
What is the InChIKey of 7-chlorooct-7-enyl acetate?
The InChIKey is MSMQHFBWHMSHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-9(11)7-5-3-4-6-8-13-10(2)12/h1,3-8H2,2H3.
What are the key properties of 7-chlorooct-7-enyl acetate?
7-chlorooct-7-enyl acetate has a molecular weight of 204.70 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorooct-7-enyl acetate is sourced from PubChem (CID 24722134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).