[(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate

C14H20O2 — CID 59975441

IUPAC[(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
SMILESC/C=C\[C@@H](C)OC(=O)/C=C/C1=CCCCC1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h3,7-8,10-12H,4-6,9H2,1-2H3/b7-3-,11-10+/t12-/m1/s1
InChIKeyRCNXNXBOGJRFPJ-XVDHZJBLSA-N
MW220.31 g/mol
LogP3.55
Rot. Bonds4

About [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate

[(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate (PubChem CID 59975441) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate.

Molecular Properties

Compound Name[(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
PubChem CID59975441
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
SMILESC/C=C\[C@@H](C)OC(=O)/C=C/C1=CCCCC1
InChIInChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h3,7-8,10-12H,4-6,9H2,1-2H3/b7-3-,11-10+/t12-/m1/s1
InChIKeyRCNXNXBOGJRFPJ-XVDHZJBLSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.55
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

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Ethyl 2-decenoate, (2E)-
CID 5463904
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
3-N-Butyl-4,5-Dihydrophthalide
CID 173843
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
Propyl deca-2,4-dienoate
CID 119922
Propyl (2E,4Z)-2,4-decadienoate
CID 6438200
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
2-Dodecenoic acid, ethyl ester, (2E)-
CID 11287580
butyl (2E,4Z)-2,4-decadienoate
CID 6438203
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
ethyl (2E,4E)-undeca-2,4-dienoate
CID 5743469

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
The IUPAC name of [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate (CID 59975441) is [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate.
What is the SMILES notation for [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
The canonical SMILES for [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate is C/C=C\[C@@H](C)OC(=O)/C=C/C1=CCCCC1.
What is the InChIKey of [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
The InChIKey is RCNXNXBOGJRFPJ-XVDHZJBLSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-7-12(2)16-14(15)11-10-13-8-5-4-6-9-13/h3,7-8,10-12H,4-6,9H2,1-2H3/b7-3-,11-10+/t12-/m1/s1.
What are the key properties of [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate?
[(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate is sourced from PubChem (CID 59975441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).