2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid

C11H20O2 — CID 146451111

IUPAC2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid
SMILESC/C=C\C(CC)(CCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-7-9-11(6-3,8-5-2)10(12)13/h5,8H,4,6-7,9H2,1-3H3,(H,12,13)/b8-5-
InChIKeyCVXFMEJWDAIVFS-YVMONPNESA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds6

About 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid

2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid (PubChem CID 146451111) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid
PubChem CID146451111
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid
SMILESC/C=C\C(CC)(CCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-4-7-9-11(6-3,8-5-2)10(12)13/h5,8H,4,6-7,9H2,1-3H3,(H,12,13)/b8-5-
InChIKeyCVXFMEJWDAIVFS-YVMONPNESA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
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

(E)-4-ethyloct-2-en-4-ol
CID 24978181
ethyl 2-ethenyl-2-ethylhexanoate
CID 12647087
pentane-1,1,1-tricarboxylic acid
CID 19386814
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;indigane
CID 175172164
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
CID 87969329
CID 87969329
3-ethenyl-3-ethylhexadecan-2-one
CID 87804881
2-butyl-2-methylhexanoic acid
CID 15930803
2-ethyl-2-phosphonohexanoic acid
CID 88688583
(E,2S)-2-amino-2-ethylpent-3-enoic acid
CID 55284732

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid?
The IUPAC name of 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid (CID 146451111) is 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid.
What is the SMILES notation for 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid?
The canonical SMILES for 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid is C/C=C\C(CC)(CCCC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid?
The InChIKey is CVXFMEJWDAIVFS-YVMONPNESA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-9-11(6-3,8-5-2)10(12)13/h5,8H,4,6-7,9H2,1-3H3,(H,12,13)/b8-5-.
What are the key properties of 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid?
2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(Z)-prop-1-enyl]hexanoic acid is sourced from PubChem (CID 146451111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).