hepta-1,6-dien-3-yl prop-2-enoate

C10H14O2 — CID 15319642

IUPAChepta-1,6-dien-3-yl prop-2-enoate
SMILESC=CCCC(C=C)OC(=O)C=C
InChIInChI=1S/C10H14O2/c1-4-7-8-9(5-2)12-10(11)6-3/h4-6,9H,1-3,7-8H2
InChIKeyRQFUSNITTPPWLU-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.24
Rot. Bonds6

About hepta-1,6-dien-3-yl prop-2-enoate

hepta-1,6-dien-3-yl prop-2-enoate (PubChem CID 15319642) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is hepta-1,6-dien-3-yl prop-2-enoate.

Molecular Properties

Compound Namehepta-1,6-dien-3-yl prop-2-enoate
PubChem CID15319642
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namehepta-1,6-dien-3-yl prop-2-enoate
SMILESC=CCCC(C=C)OC(=O)C=C
InChIInChI=1S/C10H14O2/c1-4-7-8-9(5-2)12-10(11)6-3/h4-6,9H,1-3,7-8H2
InChIKeyRQFUSNITTPPWLU-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.24
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

[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
1-hydroxybutyl prop-2-enoate;prop-2-en-1-ol
CID 88525550
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-prop-2-enylsulfanylprop-2-enyl prop-2-enoate
CID 121316840
[(E)-tricos-8-en-7-yl] prop-2-enoate
CID 22066051
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
1-silylprop-2-enyl prop-2-enoate
CID 173000207
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
(2R)-2-ethenylhex-5-enoic acid
CID 91757207
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
(2-hydroxy-1-prop-2-enoxypropyl) prop-2-enoate
CID 174425123

Frequently Asked Questions

What is the IUPAC name of hepta-1,6-dien-3-yl prop-2-enoate?
The IUPAC name of hepta-1,6-dien-3-yl prop-2-enoate (CID 15319642) is hepta-1,6-dien-3-yl prop-2-enoate.
What is the SMILES notation for hepta-1,6-dien-3-yl prop-2-enoate?
The canonical SMILES for hepta-1,6-dien-3-yl prop-2-enoate is C=CCCC(C=C)OC(=O)C=C.
What is the InChIKey of hepta-1,6-dien-3-yl prop-2-enoate?
The InChIKey is RQFUSNITTPPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-7-8-9(5-2)12-10(11)6-3/h4-6,9H,1-3,7-8H2.
What are the key properties of hepta-1,6-dien-3-yl prop-2-enoate?
hepta-1,6-dien-3-yl prop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,6-dien-3-yl prop-2-enoate is sourced from PubChem (CID 15319642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).