(3R)-3-ethenylhexanoic acid

C8H14O2 — CID 55301979

IUPAC(3R)-3-ethenylhexanoic acid
SMILESC=C[C@H](CCC)CC(=O)O
InChIInChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h4,7H,2-3,5-6H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyKZWOOKRTUFEPDG-SSDOTTSWSA-N
MW142.20 g/mol
LogP2.06
Rot. Bonds5

About (3R)-3-ethenylhexanoic acid

(3R)-3-ethenylhexanoic acid (PubChem CID 55301979) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R)-3-ethenylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-ethenylhexanoic acid
PubChem CID55301979
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3R)-3-ethenylhexanoic acid
SMILESC=C[C@H](CCC)CC(=O)O
InChIInChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h4,7H,2-3,5-6H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyKZWOOKRTUFEPDG-SSDOTTSWSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.06
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

(3R)-3-(hydroxymethyl)pent-4-enoic acid
CID 55303108
2-(carboxymethyl)but-3-enyl-trimethylazanium
CID 91397214
(E,3R)-3-ethenylhept-5-enoic acid
CID 124566834
carbonic acid;3-methylhex-1-ene
CID 161181273
6-(carboxymethyl)-3-ethenyl-9-hexa-2,4-dienylundecanedioic acid
CID 175464511
3-ethoxycarbonylpent-4-enoic acid
CID 174635447
3-hydroxyhexanoic acid;methane
CID 175209406
3-iodohexanoic acid
CID 18000330
(2S)-2-propylbutanedioic acid
CID 12648185
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
(3R)-3-benzylpent-4-enoic acid
CID 124641906
(3S)-3-hydroxypent-4-enoic acid
CID 12740485

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenylhexanoic acid?
The IUPAC name of (3R)-3-ethenylhexanoic acid (CID 55301979) is (3R)-3-ethenylhexanoic acid.
What is the SMILES notation for (3R)-3-ethenylhexanoic acid?
The canonical SMILES for (3R)-3-ethenylhexanoic acid is C=C[C@H](CCC)CC(=O)O.
What is the InChIKey of (3R)-3-ethenylhexanoic acid?
The InChIKey is KZWOOKRTUFEPDG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h4,7H,2-3,5-6H2,1H3,(H,9,10)/t7-/m1/s1.
What are the key properties of (3R)-3-ethenylhexanoic acid?
(3R)-3-ethenylhexanoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenylhexanoic acid is sourced from PubChem (CID 55301979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).