(5-formyloxy-3-methylpent-3-enyl) formate

C8H12O4 — CID 152719136

IUPAC(5-formyloxy-3-methylpent-3-enyl) formate
SMILESCC(=CCOC=O)CCOC=O
InChIInChI=1S/C8H12O4/c1-8(2-4-11-6-9)3-5-12-7-10/h2,6-7H,3-5H2,1H3
InChIKeyZVFZJAAYIGYARU-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.67
Rot. Bonds7

About (5-formyloxy-3-methylpent-3-enyl) formate

(5-formyloxy-3-methylpent-3-enyl) formate (PubChem CID 152719136) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (5-formyloxy-3-methylpent-3-enyl) formate.

Molecular Properties

Compound Name(5-formyloxy-3-methylpent-3-enyl) formate
PubChem CID152719136
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(5-formyloxy-3-methylpent-3-enyl) formate
SMILESCC(=CCOC=O)CCOC=O
InChIInChI=1S/C8H12O4/c1-8(2-4-11-6-9)3-5-12-7-10/h2,6-7H,3-5H2,1H3
InChIKeyZVFZJAAYIGYARU-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-methylpent-3-enyl] formate
CID 6441355
[(Z)-3-bromobut-2-enyl] formate
CID 173084434
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
[(Z)-3-methyl-5-propanoyloxypent-3-enyl] propanoate
CID 146216389
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
3-oxopent-4-enyl formate
CID 21299965
[(E)-pent-3-enyl] formate
CID 14644551
propan-1-ol;propyl formate
CID 19366236
2-bromoethyl formate;ethane
CID 143917074
5-formyloxypentyl acetate
CID 87520008
methyl 4-formyloxybutanoate
CID 88643911
5-methyl-7-propan-2-yloxyhept-4-enal
CID 54043294

Frequently Asked Questions

What is the IUPAC name of (5-formyloxy-3-methylpent-3-enyl) formate?
The IUPAC name of (5-formyloxy-3-methylpent-3-enyl) formate (CID 152719136) is (5-formyloxy-3-methylpent-3-enyl) formate.
What is the SMILES notation for (5-formyloxy-3-methylpent-3-enyl) formate?
The canonical SMILES for (5-formyloxy-3-methylpent-3-enyl) formate is CC(=CCOC=O)CCOC=O.
What is the InChIKey of (5-formyloxy-3-methylpent-3-enyl) formate?
The InChIKey is ZVFZJAAYIGYARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(2-4-11-6-9)3-5-12-7-10/h2,6-7H,3-5H2,1H3.
What are the key properties of (5-formyloxy-3-methylpent-3-enyl) formate?
(5-formyloxy-3-methylpent-3-enyl) formate has a molecular weight of 172.18 g/mol, XLogP of 0.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyloxy-3-methylpent-3-enyl) formate is sourced from PubChem (CID 152719136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).