carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene

C16H30O5 — CID 158684652

IUPACcarbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene
SMILESC=CC(C)(C)OOCCCC(=CCC)CCC.O=C(O)O
InChIInChI=1S/C15H28O2.CH2O3/c1-6-10-14(11-7-2)12-9-13-16-17-15(4,5)8-3;2-1(3)4/h8,10H,3,6-7,9,11-13H2,1-2,4-5H3;(H2,2,3,4)
InChIKeyIFOQHTCHJUGVSE-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.04
Rot. Bonds10

About carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene

carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene (PubChem CID 158684652) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene.

Molecular Properties

Compound Namecarbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene
PubChem CID158684652
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Namecarbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene
SMILESC=CC(C)(C)OOCCCC(=CCC)CCC.O=C(O)O
InChIInChI=1S/C15H28O2.CH2O3/c1-6-10-14(11-7-2)12-9-13-16-17-15(4,5)8-3;2-1(3)4/h8,10H,3,6-7,9,11-13H2,1-2,4-5H3;(H2,2,3,4)
InChIKeyIFOQHTCHJUGVSE-UHFFFAOYSA-N
XLogP5.04
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-propylnon-3-ene
CID 57321984
3-propylhex-3-enoic acid
CID 152767983
tert-butyl (E)-2-propylpent-2-eneperoxoate
CID 131877936
3,3-bis(butylperoxy)-2-ethylbutanoic acid
CID 23200609
diethyl 2-[(Z)-2-propylpent-2-enyl]propanedioate
CID 24972479
2-butanoyloxyethyl 2-propylpent-2-enoate
CID 173000512
3-[(4E)-6,6-dimethylocta-4,7-dien-4-yl]oxypropanoic acid
CID 143380782
1-butylperoxybutane;4,4-dimethylpentanoic acid
CID 158602949
trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
tert-butyl prop-2-enoate;1-dodecylperoxydodecane
CID 158045908
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
heptadecane;prop-2-enoic acid
CID 158681422

Frequently Asked Questions

What is the IUPAC name of carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene?
The IUPAC name of carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene (CID 158684652) is carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene.
What is the SMILES notation for carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene?
The canonical SMILES for carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene is C=CC(C)(C)OOCCCC(=CCC)CCC.O=C(O)O.
What is the InChIKey of carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene?
The InChIKey is IFOQHTCHJUGVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2.CH2O3/c1-6-10-14(11-7-2)12-9-13-16-17-15(4,5)8-3;2-1(3)4/h8,10H,3,6-7,9,11-13H2,1-2,4-5H3;(H2,2,3,4).
What are the key properties of carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene?
carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene has a molecular weight of 302.41 g/mol, XLogP of 5.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;7-(2-methylbut-3-en-2-ylperoxy)-4-propylhept-3-ene is sourced from PubChem (CID 158684652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).