4-(ethenoxymethyl)-2-methylhex-2-enoic acid

C10H16O3 — CID 91368270

IUPAC4-(ethenoxymethyl)-2-methylhex-2-enoic acid
SMILESC=COCC(C=C(C)C(=O)O)CC
InChIInChI=1S/C10H16O3/c1-4-9(7-13-5-2)6-8(3)10(11)12/h5-6,9H,2,4,7H2,1,3H3,(H,11,12)
InChIKeyIKWHQHXVTPBIKI-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.20
Rot. Bonds6

About 4-(ethenoxymethyl)-2-methylhex-2-enoic acid

4-(ethenoxymethyl)-2-methylhex-2-enoic acid (PubChem CID 91368270) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name4-(ethenoxymethyl)-2-methylhex-2-enoic acid
PubChem CID91368270
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-(ethenoxymethyl)-2-methylhex-2-enoic acid
SMILESC=COCC(C=C(C)C(=O)O)CC
InChIInChI=1S/C10H16O3/c1-4-9(7-13-5-2)6-8(3)10(11)12/h5-6,9H,2,4,7H2,1,3H3,(H,11,12)
InChIKeyIKWHQHXVTPBIKI-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
CID 173009851
(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
(E)-4-ethyl-2-methylundec-2-enoic acid
CID 23505055
4-(bromomethyl)-5-hydroxy-2-methylpent-2-enoic acid
CID 87558406
1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
CID 174797492
acetic acid;3-(ethenoxymethyl)heptane
CID 174888380
4-[bis(prop-2-enyl)amino]-2-methylhex-2-enoic acid
CID 173035693
4-ethenoxy-3-methyl-2-methylidenebutanoic acid
CID 123882993
(E)-4-ethyl-2,6-dimethyl-7-phenylmethoxyhept-2-enoic acid
CID 138533862
4-(diethylamino)-2-methylhexa-2,5-dienoic acid
CID 173403917
2-methyl-4-propyldec-2-enoic acid
CID 173472927
6-amino-4-(aminomethyl)-2-methylhex-2-enoic acid
CID 174842658

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-2-methylhex-2-enoic acid?
The IUPAC name of 4-(ethenoxymethyl)-2-methylhex-2-enoic acid (CID 91368270) is 4-(ethenoxymethyl)-2-methylhex-2-enoic acid.
What is the SMILES notation for 4-(ethenoxymethyl)-2-methylhex-2-enoic acid?
The canonical SMILES for 4-(ethenoxymethyl)-2-methylhex-2-enoic acid is C=COCC(C=C(C)C(=O)O)CC.
What is the InChIKey of 4-(ethenoxymethyl)-2-methylhex-2-enoic acid?
The InChIKey is IKWHQHXVTPBIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-9(7-13-5-2)6-8(3)10(11)12/h5-6,9H,2,4,7H2,1,3H3,(H,11,12).
What are the key properties of 4-(ethenoxymethyl)-2-methylhex-2-enoic acid?
4-(ethenoxymethyl)-2-methylhex-2-enoic acid has a molecular weight of 184.23 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-2-methylhex-2-enoic acid is sourced from PubChem (CID 91368270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).