12-(1-methoxyethoxy)dodecyl formate

C16H32O4 — CID 87852250

IUPAC12-(1-methoxyethoxy)dodecyl formate
SMILESCOC(C)OCCCCCCCCCCCCOC=O
InChIInChI=1S/C16H32O4/c1-16(18-2)20-14-12-10-8-6-4-3-5-7-9-11-13-19-15-17/h15-16H,3-14H2,1-2H3
InChIKeySXDVWZDGKMRYGL-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.07
Rot. Bonds16

About 12-(1-methoxyethoxy)dodecyl formate

12-(1-methoxyethoxy)dodecyl formate (PubChem CID 87852250) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 12-(1-methoxyethoxy)dodecyl formate.

Molecular Properties

Compound Name12-(1-methoxyethoxy)dodecyl formate
PubChem CID87852250
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name12-(1-methoxyethoxy)dodecyl formate
SMILESCOC(C)OCCCCCCCCCCCCOC=O
InChIInChI=1S/C16H32O4/c1-16(18-2)20-14-12-10-8-6-4-3-5-7-9-11-13-19-15-17/h15-16H,3-14H2,1-2H3
InChIKeySXDVWZDGKMRYGL-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.07
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(1-methoxyethoxy)butane
CID 20578725
hexacosyl formate
CID 87446465
10,10-dimethylundecyl formate
CID 91170275
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
6-[[hydroxy(methoxy)methyl]amino]hexyl formate
CID 157143891
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
4-fluoropentyl formate
CID 87282632
5-[(2-methylpropan-2-yl)oxy]pentyl formate
CID 54572976
3-aminopropyl formate;propan-2-amine
CID 175555477
(11-formyloxy-7-methyl-6-oxoundecyl) formate
CID 170087712
potassium;hydride;pentyl formate
CID 173073840

Frequently Asked Questions

What is the IUPAC name of 12-(1-methoxyethoxy)dodecyl formate?
The IUPAC name of 12-(1-methoxyethoxy)dodecyl formate (CID 87852250) is 12-(1-methoxyethoxy)dodecyl formate.
What is the SMILES notation for 12-(1-methoxyethoxy)dodecyl formate?
The canonical SMILES for 12-(1-methoxyethoxy)dodecyl formate is COC(C)OCCCCCCCCCCCCOC=O.
What is the InChIKey of 12-(1-methoxyethoxy)dodecyl formate?
The InChIKey is SXDVWZDGKMRYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-16(18-2)20-14-12-10-8-6-4-3-5-7-9-11-13-19-15-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 12-(1-methoxyethoxy)dodecyl formate?
12-(1-methoxyethoxy)dodecyl formate has a molecular weight of 288.43 g/mol, XLogP of 4.07, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-methoxyethoxy)dodecyl formate is sourced from PubChem (CID 87852250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).