5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid

C9H15ClO2 — CID 106439369

IUPAC5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid
SMILESCC(=CCl)CC(C(=O)O)C(C)C
InChIInChI=1S/C9H15ClO2/c1-6(2)8(9(11)12)4-7(3)5-10/h5-6,8H,4H2,1-3H3,(H,11,12)
InChIKeyHJOPCRAPXDJADQ-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.88
Rot. Bonds4

About 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid

5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid (PubChem CID 106439369) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid.

Molecular Properties

Compound Name5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid
PubChem CID106439369
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid
SMILESCC(=CCl)CC(C(=O)O)C(C)C
InChIInChI=1S/C9H15ClO2/c1-6(2)8(9(11)12)4-7(3)5-10/h5-6,8H,4H2,1-3H3,(H,11,12)
InChIKeyHJOPCRAPXDJADQ-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dichloro-2-propan-2-ylpent-4-enoic acid
CID 54162996
6-chloro-3,5-dimethylhex-5-en-2-one
CID 106439161
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutanoic acid
CID 106439197
(E)-5-[[(E)-but-1-enyl]amino]-4-methyl-2-propan-2-ylpent-4-enoic acid
CID 139404659
(E,2S)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 11513844
6-methyl-4-oxo-2-propan-2-ylheptanoic acid
CID 76763066
(E,3S)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E)-6-chloro-3-propan-2-ylhex-5-en-2-one;(E,2R)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 161098058
bis((E)-6-chloro-3-propan-2-ylhex-5-en-2-one);(E)-5-chloro-2-propan-2-ylpent-4-enoic acid
CID 161098059
4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 59180579
(2S)-4-(cyclohexylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 58938741
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
ethane;2-propan-2-ylpentanoic acid
CID 175540570

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid?
The IUPAC name of 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid (CID 106439369) is 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid.
What is the SMILES notation for 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid?
The canonical SMILES for 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid is CC(=CCl)CC(C(=O)O)C(C)C.
What is the InChIKey of 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid?
The InChIKey is HJOPCRAPXDJADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-6(2)8(9(11)12)4-7(3)5-10/h5-6,8H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid?
5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid has a molecular weight of 190.67 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid is sourced from PubChem (CID 106439369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).