prop-2-enyl (E)-5-methylhex-2-enoate

C10H16O2 — CID 87327194

IUPACprop-2-enyl (E)-5-methylhex-2-enoate
SMILESC=CCOC(=O)/C=C/CC(C)C
InChIInChI=1S/C10H16O2/c1-4-8-12-10(11)7-5-6-9(2)3/h4-5,7,9H,1,6,8H2,2-3H3/b7-5+
InChIKeyTWWLJSAPWKUPRW-FNORWQNLSA-N
MW168.24 g/mol
LogP2.32
Rot. Bonds5

About prop-2-enyl (E)-5-methylhex-2-enoate

prop-2-enyl (E)-5-methylhex-2-enoate (PubChem CID 87327194) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is prop-2-enyl (E)-5-methylhex-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E)-5-methylhex-2-enoate
PubChem CID87327194
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameprop-2-enyl (E)-5-methylhex-2-enoate
SMILESC=CCOC(=O)/C=C/CC(C)C
InChIInChI=1S/C10H16O2/c1-4-8-12-10(11)7-5-6-9(2)3/h4-5,7,9H,1,6,8H2,2-3H3/b7-5+
InChIKeyTWWLJSAPWKUPRW-FNORWQNLSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate
CID 54552604
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
tert-butyl (E)-5-methylhex-2-enoate
CID 11446750
prop-2-enyl 4-formyloxybut-2-enoate
CID 173056618
prop-2-enyl oct-2-enoate
CID 3023736
(E)-6-methylhept-3-en-2-one
CID 5462986
4-O-amino 1-O-prop-2-enyl (Z)-but-2-enedioate
CID 88748858
prop-2-enyl (Z)-3-bromoprop-2-enoate
CID 14906233
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl (E,5R,6R)-6-hydroxy-6-[4-(2-hydroxyethoxy)phenyl]-5-methylhex-2-enoate
CID 23846718

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (E)-5-methylhex-2-enoate?
The IUPAC name of prop-2-enyl (E)-5-methylhex-2-enoate (CID 87327194) is prop-2-enyl (E)-5-methylhex-2-enoate.
What is the SMILES notation for prop-2-enyl (E)-5-methylhex-2-enoate?
The canonical SMILES for prop-2-enyl (E)-5-methylhex-2-enoate is C=CCOC(=O)/C=C/CC(C)C.
What is the InChIKey of prop-2-enyl (E)-5-methylhex-2-enoate?
The InChIKey is TWWLJSAPWKUPRW-FNORWQNLSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8-12-10(11)7-5-6-9(2)3/h4-5,7,9H,1,6,8H2,2-3H3/b7-5+.
What are the key properties of prop-2-enyl (E)-5-methylhex-2-enoate?
prop-2-enyl (E)-5-methylhex-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E)-5-methylhex-2-enoate is sourced from PubChem (CID 87327194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).