5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate

C17H24O2 — CID 175494694

IUPAC5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate
SMILESC=CCC(OC(=O)C=C)C(CC=C)(CC=C)CC=C
InChIInChI=1S/C17H24O2/c1-6-11-15(19-16(18)10-5)17(12-7-2,13-8-3)14-9-4/h6-10,15H,1-5,11-14H2
InChIKeyNAYXTXIMQOFXHG-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.38
Rot. Bonds11

About 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate

5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate (PubChem CID 175494694) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate.

Molecular Properties

Compound Name5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate
PubChem CID175494694
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate
SMILESC=CCC(OC(=O)C=C)C(CC=C)(CC=C)CC=C
InChIInChI=1S/C17H24O2/c1-6-11-15(19-16(18)10-5)17(12-7-2,13-8-3)14-9-4/h6-10,15H,1-5,11-14H2
InChIKeyNAYXTXIMQOFXHG-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.38
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

[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
CID 67366945
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
[3-hydroxy-2-(hydroxymethyl)-2-prop-2-enylpent-4-enyl] prop-2-enoate
CID 87531602
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
1-prop-2-enylsulfanylprop-2-enyl prop-2-enoate
CID 121316840
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate?
The IUPAC name of 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate (CID 175494694) is 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate.
What is the SMILES notation for 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate?
The canonical SMILES for 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate is C=CCC(OC(=O)C=C)C(CC=C)(CC=C)CC=C.
What is the InChIKey of 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate?
The InChIKey is NAYXTXIMQOFXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-6-11-15(19-16(18)10-5)17(12-7-2,13-8-3)14-9-4/h6-10,15H,1-5,11-14H2.
What are the key properties of 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate?
5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-2-enyl)octa-1,7-dien-4-yl prop-2-enoate is sourced from PubChem (CID 175494694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).