(11-formyloxy-7-methyl-6-oxoundecyl) formate

C14H24O5 — CID 170087712

IUPAC(11-formyloxy-7-methyl-6-oxoundecyl) formate
SMILESCC(CCCCOC=O)C(=O)CCCCCOC=O
InChIInChI=1S/C14H24O5/c1-13(7-4-6-10-19-12-16)14(17)8-3-2-5-9-18-11-15/h11-13H,2-10H2,1H3
InChIKeyFPSBWMLAMQGMQW-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.27
Rot. Bonds14

About (11-formyloxy-7-methyl-6-oxoundecyl) formate

(11-formyloxy-7-methyl-6-oxoundecyl) formate (PubChem CID 170087712) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (11-formyloxy-7-methyl-6-oxoundecyl) formate.

Molecular Properties

Compound Name(11-formyloxy-7-methyl-6-oxoundecyl) formate
PubChem CID170087712
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(11-formyloxy-7-methyl-6-oxoundecyl) formate
SMILESCC(CCCCOC=O)C(=O)CCCCCOC=O
InChIInChI=1S/C14H24O5/c1-13(7-4-6-10-19-12-16)14(17)8-3-2-5-9-18-11-15/h11-13H,2-10H2,1H3
InChIKeyFPSBWMLAMQGMQW-UHFFFAOYSA-N
XLogP2.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 6-methyl-7-oxooctanoate
CID 71756279
Spicifernin B
CID 139590916
Methyl (r)-3,7-dimethyl-6-oxooctanoate
CID 642280
methyl (4R,6S,8S)-4,6,8-trimethyl-9-oxodecanoate
CID 11230254
2,6-Dimethyl-8,8-dimethoxyoctan-3-one
CID 13023729
Methyl 6-oxocycloundecane-1-carboxylate
CID 15921378
3-Methyl-7-oxooctyl acetate
CID 15544991
(5-Acetyl-6-oxoheptyl) acetate
CID 22059790
(4-Oxo-2-propylnonyl) acetate
CID 90717395
Octanedioic acid, 2,4-dimethyl-, dimethyl ester
CID 550174
(2S,4S)-2,4-Dimethyloctanedioic acid dimethyl ester
CID 22213941
Hexanedioic acid, 2,5-diethyl-, dimethyl ester
CID 521588

Frequently Asked Questions

What is the IUPAC name of (11-formyloxy-7-methyl-6-oxoundecyl) formate?
The IUPAC name of (11-formyloxy-7-methyl-6-oxoundecyl) formate (CID 170087712) is (11-formyloxy-7-methyl-6-oxoundecyl) formate.
What is the SMILES notation for (11-formyloxy-7-methyl-6-oxoundecyl) formate?
The canonical SMILES for (11-formyloxy-7-methyl-6-oxoundecyl) formate is CC(CCCCOC=O)C(=O)CCCCCOC=O.
What is the InChIKey of (11-formyloxy-7-methyl-6-oxoundecyl) formate?
The InChIKey is FPSBWMLAMQGMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-13(7-4-6-10-19-12-16)14(17)8-3-2-5-9-18-11-15/h11-13H,2-10H2,1H3.
What are the key properties of (11-formyloxy-7-methyl-6-oxoundecyl) formate?
(11-formyloxy-7-methyl-6-oxoundecyl) formate has a molecular weight of 272.34 g/mol, XLogP of 2.27, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11-formyloxy-7-methyl-6-oxoundecyl) formate is sourced from PubChem (CID 170087712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).