2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate

C20H26O6 — CID 161410762

IUPAC2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCCO.O=C(OCCO)C1=CCCCC1
InChIInChI=1S/C11H12O3.C9H14O3/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10;10-6-7-12-9(11)8-4-2-1-3-5-8/h1-7,12H,8-9H2;4,10H,1-3,5-7H2/b7-6+;
InChIKeyVVKYAPIULFWQPN-UHDJGPCESA-N
MW362.42 g/mol
LogP2.26
Rot. Bonds7

About 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate

2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate (PubChem CID 161410762) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate
PubChem CID161410762
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCCO.O=C(OCCO)C1=CCCCC1
InChIInChI=1S/C11H12O3.C9H14O3/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10;10-6-7-12-9(11)8-4-2-1-3-5-8/h1-7,12H,8-9H2;4,10H,1-3,5-7H2/b7-6+;
InChIKeyVVKYAPIULFWQPN-UHDJGPCESA-N
XLogP2.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
3-[dichloro-[3-[(E)-3-phenylprop-2-enoyl]oxypropyl]-λ4-selanyl]propyl (E)-3-phenylprop-2-enoate
CID 134925812
amino 3-phenylprop-2-enoate
CID 67189797
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
2-[2,4,6-trioxo-3,5-bis[2-(3-phenylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 3-phenylprop-2-enoate
CID 89491265

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate (CID 161410762) is 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OCCO.O=C(OCCO)C1=CCCCC1.
What is the InChIKey of 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate?
The InChIKey is VVKYAPIULFWQPN-UHDJGPCESA-N. The full InChI is InChI=1S/C11H12O3.C9H14O3/c12-8-9-14-11(13)7-6-10-4-2-1-3-5-10;10-6-7-12-9(11)8-4-2-1-3-5-8/h1-7,12H,8-9H2;4,10H,1-3,5-7H2/b7-6+;.
What are the key properties of 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate?
2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate has a molecular weight of 362.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl cyclohexene-1-carboxylate;2-hydroxyethyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 161410762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).