10,10-dimethylundecyl formate

C14H28O2 — CID 91170275

IUPAC10,10-dimethylundecyl formate
SMILESCC(C)(C)CCCCCCCCCOC=O
InChIInChI=1S/C14H28O2/c1-14(2,3)11-9-7-5-4-6-8-10-12-16-13-15/h13H,4-12H2,1-3H3
InChIKeyYJWMZZLQWICHLE-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.33
Rot. Bonds10

About 10,10-dimethylundecyl formate

10,10-dimethylundecyl formate (PubChem CID 91170275) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 10,10-dimethylundecyl formate.

Molecular Properties

Compound Name10,10-dimethylundecyl formate
PubChem CID91170275
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name10,10-dimethylundecyl formate
SMILESCC(C)(C)CCCCCCCCCOC=O
InChIInChI=1S/C14H28O2/c1-14(2,3)11-9-7-5-4-6-8-10-12-16-13-15/h13H,4-12H2,1-3H3
InChIKeyYJWMZZLQWICHLE-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-[(2-methylpropan-2-yl)oxy]pentyl formate
CID 54572976
4-[(2-methylpropan-2-yl)oxy]butyl formate
CID 54406246
hexacosyl formate
CID 87446465
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
3-(2,2-dimethylpropylamino)propyl formate
CID 87316456
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
12-(1-methoxyethoxy)dodecyl formate
CID 87852250
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-ethenoxy-4,4-dimethylpentane
CID 58671996
potassium;hydride;pentyl formate
CID 173073840
1-ethoxy-6,6-dimethylheptane
CID 58021102

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylundecyl formate?
The IUPAC name of 10,10-dimethylundecyl formate (CID 91170275) is 10,10-dimethylundecyl formate.
What is the SMILES notation for 10,10-dimethylundecyl formate?
The canonical SMILES for 10,10-dimethylundecyl formate is CC(C)(C)CCCCCCCCCOC=O.
What is the InChIKey of 10,10-dimethylundecyl formate?
The InChIKey is YJWMZZLQWICHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-14(2,3)11-9-7-5-4-6-8-10-12-16-13-15/h13H,4-12H2,1-3H3.
What are the key properties of 10,10-dimethylundecyl formate?
10,10-dimethylundecyl formate has a molecular weight of 228.38 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylundecyl formate is sourced from PubChem (CID 91170275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).