formyl formate;hexane;methanol

C9H20O4 — CID 159655348

IUPACformyl formate;hexane;methanol
SMILESCCCCCC.CO.O=COC=O
InChIInChI=1S/C6H14.C2H2O3.CH4O/c1-3-5-6-4-2;3-1-5-2-4;1-2/h3-6H2,1-2H3;1-2H;2H,1H3
InChIKeyMSCHRDBMNQPWRZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.51
Rot. Bonds5

About formyl formate;hexane;methanol

formyl formate;hexane;methanol (PubChem CID 159655348) has the molecular formula C9H20O4 and a molecular weight of 192.26 g/mol. Its IUPAC name is formyl formate;hexane;methanol.

Molecular Properties

Compound Nameformyl formate;hexane;methanol
PubChem CID159655348
Molecular FormulaC9H20O4
Molecular Weight192.26 g/mol
Exact Mass192.14
IUPAC Nameformyl formate;hexane;methanol
SMILESCCCCCC.CO.O=COC=O
InChIInChI=1S/C6H14.C2H2O3.CH4O/c1-3-5-6-4-2;3-1-5-2-4;1-2/h3-6H2,1-2H3;1-2H;2H,1H3
InChIKeyMSCHRDBMNQPWRZ-UHFFFAOYSA-N
XLogP1.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(Z)-dec-1-enyl] formate
CID 10954216
methyl formate;octane;hydrochloride
CID 174875617
ethenoxyethene;hexane;methanol
CID 174389238
hexane;oxomercury
CID 174814256
methanol;undecane
CID 161373911
ethyl formate;heptane
CID 159019275
formyl formate
CID 90024423
hexane;methanol;propan-2-one
CID 174562588
nonan-1-amine;peroxyformic acid
CID 172825043
hexacosyl formate
CID 87446465
hexadecane;methanol;hydrate
CID 87350275
formyl docosanoate
CID 87130713

Frequently Asked Questions

What is the IUPAC name of formyl formate;hexane;methanol?
The IUPAC name of formyl formate;hexane;methanol (CID 159655348) is formyl formate;hexane;methanol.
What is the SMILES notation for formyl formate;hexane;methanol?
The canonical SMILES for formyl formate;hexane;methanol is CCCCCC.CO.O=COC=O.
What is the InChIKey of formyl formate;hexane;methanol?
The InChIKey is MSCHRDBMNQPWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H2O3.CH4O/c1-3-5-6-4-2;3-1-5-2-4;1-2/h3-6H2,1-2H3;1-2H;2H,1H3.
What are the key properties of formyl formate;hexane;methanol?
formyl formate;hexane;methanol has a molecular weight of 192.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl formate;hexane;methanol is sourced from PubChem (CID 159655348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).