2-prop-1-en-2-ylhex-4-enoic acid

C9H14O2 — CID 141270650

IUPAC2-prop-1-en-2-ylhex-4-enoic acid
SMILESC=C(C)C(CC=CC)C(=O)O
InChIInChI=1S/C9H14O2/c1-4-5-6-8(7(2)3)9(10)11/h4-5,8H,2,6H2,1,3H3,(H,10,11)
InChIKeyFXXBXNVIXVDZRQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.23
Rot. Bonds4

About 2-prop-1-en-2-ylhex-4-enoic acid

2-prop-1-en-2-ylhex-4-enoic acid (PubChem CID 141270650) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-prop-1-en-2-ylhex-4-enoic acid.

Molecular Properties

Compound Name2-prop-1-en-2-ylhex-4-enoic acid
PubChem CID141270650
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-prop-1-en-2-ylhex-4-enoic acid
SMILESC=C(C)C(CC=CC)C(=O)O
InChIInChI=1S/C9H14O2/c1-4-5-6-8(7(2)3)9(10)11/h4-5,8H,2,6H2,1,3H3,(H,10,11)
InChIKeyFXXBXNVIXVDZRQ-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylocta-1,6-diene
CID 143964133
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
2-bromohex-4-enoic acid
CID 57026294
CID 131873910
CID 131873910
(Z,2S)-2-acetamidohex-4-enoic acid
CID 88873781
dimethyl 2-[(Z)-but-2-enyl]propanedioate
CID 12599389
(E,2R)-2-ethylhex-4-enoic acid
CID 11579146
(E)-2-[(E)-but-2-enyl]-3-methylhept-5-enoic acid
CID 20820807
dipropan-2-yl 2-[(E)-but-2-enyl]propanedioate
CID 103972693
(E)-2,4-dimethyloct-6-enoic acid
CID 155168823
(Z)-2-propylhex-4-enoic acid
CID 59965143
(4E)-2-methylhexa-1,4-diene
CID 5367524

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylhex-4-enoic acid?
The IUPAC name of 2-prop-1-en-2-ylhex-4-enoic acid (CID 141270650) is 2-prop-1-en-2-ylhex-4-enoic acid.
What is the SMILES notation for 2-prop-1-en-2-ylhex-4-enoic acid?
The canonical SMILES for 2-prop-1-en-2-ylhex-4-enoic acid is C=C(C)C(CC=CC)C(=O)O.
What is the InChIKey of 2-prop-1-en-2-ylhex-4-enoic acid?
The InChIKey is FXXBXNVIXVDZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-6-8(7(2)3)9(10)11/h4-5,8H,2,6H2,1,3H3,(H,10,11).
What are the key properties of 2-prop-1-en-2-ylhex-4-enoic acid?
2-prop-1-en-2-ylhex-4-enoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylhex-4-enoic acid is sourced from PubChem (CID 141270650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).