[(Z)-3-bromopent-3-en-2-yl] acetate

C7H11BrO2 — CID 135037834

IUPAC[(Z)-3-bromopent-3-en-2-yl] acetate
SMILESC/C=C(\Br)C(C)OC(C)=O
InChIInChI=1S/C7H11BrO2/c1-4-7(8)5(2)10-6(3)9/h4-5H,1-3H3/b7-4-
InChIKeyXVFDTQXNYBRERC-DAXSKMNVSA-N
MW207.07 g/mol
LogP2.24
Rot. Bonds2

About [(Z)-3-bromopent-3-en-2-yl] acetate

[(Z)-3-bromopent-3-en-2-yl] acetate (PubChem CID 135037834) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is [(Z)-3-bromopent-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z)-3-bromopent-3-en-2-yl] acetate
PubChem CID135037834
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name[(Z)-3-bromopent-3-en-2-yl] acetate
SMILESC/C=C(\Br)C(C)OC(C)=O
InChIInChI=1S/C7H11BrO2/c1-4-7(8)5(2)10-6(3)9/h4-5H,1-3H3/b7-4-
InChIKeyXVFDTQXNYBRERC-DAXSKMNVSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(e)-Pent-3-en-2-yl acetate
CID 10953522
[(E,2S)-pent-3-en-2-yl] acetate
CID 10953523
4-bromo-5-methyl-2(5H)-furanone
CID 14708620
1,3-Dimethylprop-2-enyl acetate
CID 53909252
[(E)-6-bromohex-2-enyl] acetate
CID 15370348
6-Bromohex-2-enyl acetate
CID 90971677
ethyl (Z)-3-bromohept-2-enoate
CID 21775059
Ethyl 3-bromohept-2-enoate
CID 73836583
[(Z)-pent-3-en-2-yl] acetate
CID 10351716
[(2S,3Z)-4-bromohexa-3,5-dien-2-yl] prop-2-enoate
CID 11817103
3-bromo-2-propan-2-yl-2H-furan-5-one
CID 14785092
methyl (Z)-3-bromo-4-hydroxypent-2-enoate
CID 21722490

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-bromopent-3-en-2-yl] acetate?
The IUPAC name of [(Z)-3-bromopent-3-en-2-yl] acetate (CID 135037834) is [(Z)-3-bromopent-3-en-2-yl] acetate.
What is the SMILES notation for [(Z)-3-bromopent-3-en-2-yl] acetate?
The canonical SMILES for [(Z)-3-bromopent-3-en-2-yl] acetate is C/C=C(\Br)C(C)OC(C)=O.
What is the InChIKey of [(Z)-3-bromopent-3-en-2-yl] acetate?
The InChIKey is XVFDTQXNYBRERC-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-4-7(8)5(2)10-6(3)9/h4-5H,1-3H3/b7-4-.
What are the key properties of [(Z)-3-bromopent-3-en-2-yl] acetate?
[(Z)-3-bromopent-3-en-2-yl] acetate has a molecular weight of 207.07 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-bromopent-3-en-2-yl] acetate is sourced from PubChem (CID 135037834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).