(5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate

C14H24O5 — CID 20514182

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate
SMILESC=CCOC(=O)OOOC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H24O5/c1-5-8-16-14(15)18-19-17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyVJPPNDDHUDGCAY-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.65
Rot. Bonds6

About (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate

(5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate (PubChem CID 20514182) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate
PubChem CID20514182
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate
SMILESC=CCOC(=O)OOOC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H24O5/c1-5-8-16-14(15)18-19-17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyVJPPNDDHUDGCAY-UHFFFAOYSA-N
XLogP3.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
CID 11085895
[2-Methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)peroxyprop-2-enyl] hydrogen carbonate
CID 19814561
(5-Methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate
CID 20514183
(5-Methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate
CID 20552001
1-(5-Methyl-2-propan-2-ylcyclohexyl)peroxyprop-2-enyl hydrogen carbonate
CID 22366158
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-2-enyl carbonate
CID 54111997
(3-Methyl-3-propan-2-ylcyclohexyl) prop-2-enyl carbonate
CID 70548357
2-Methylbut-3-en-2-yl (5-methyl-2-propan-2-ylcyclohexyl) carbonate
CID 70582456
(4-Methyl-1-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate
CID 140342277
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] prop-1-enyl carbonate
CID 174582656
3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,6-dihydro-1,2-dioxine
CID 101035368
3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,6-dihydro-1,2-dioxine
CID 101035369

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate (CID 20514182) is (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate is C=CCOC(=O)OOOC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate?
The InChIKey is VJPPNDDHUDGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-5-8-16-14(15)18-19-17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate?
(5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate has a molecular weight of 272.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)peroxy prop-2-enyl carbonate is sourced from PubChem (CID 20514182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).