(2-methyl-2-propylpentyl) acetate

C11H22O2 — CID 89417633

IUPAC(2-methyl-2-propylpentyl) acetate
SMILESCCCC(C)(CCC)COC(C)=O
InChIInChI=1S/C11H22O2/c1-5-7-11(4,8-6-2)9-13-10(3)12/h5-9H2,1-4H3
InChIKeyNYYCYYJFFYVSNR-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.16
Rot. Bonds6

About (2-methyl-2-propylpentyl) acetate

(2-methyl-2-propylpentyl) acetate (PubChem CID 89417633) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (2-methyl-2-propylpentyl) acetate.

Molecular Properties

Compound Name(2-methyl-2-propylpentyl) acetate
PubChem CID89417633
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(2-methyl-2-propylpentyl) acetate
SMILESCCCC(C)(CCC)COC(C)=O
InChIInChI=1S/C11H22O2/c1-5-7-11(4,8-6-2)9-13-10(3)12/h5-9H2,1-4H3
InChIKeyNYYCYYJFFYVSNR-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methyl-2-propylpentyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-2-octyldodecyl) acetate
CID 138503914
(2-ethyl-2-methylhexyl) acetate
CID 90020501
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
2,2-dimethylpropyl acetate
CID 13552
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
CID 122525361
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
CID 129094110
4-methylheptan-4-yl acetate
CID 58165665
2,2-difluorobutyl acetate
CID 58275605

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-propylpentyl) acetate?
The IUPAC name of (2-methyl-2-propylpentyl) acetate (CID 89417633) is (2-methyl-2-propylpentyl) acetate.
What is the SMILES notation for (2-methyl-2-propylpentyl) acetate?
The canonical SMILES for (2-methyl-2-propylpentyl) acetate is CCCC(C)(CCC)COC(C)=O.
What is the InChIKey of (2-methyl-2-propylpentyl) acetate?
The InChIKey is NYYCYYJFFYVSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-11(4,8-6-2)9-13-10(3)12/h5-9H2,1-4H3.
What are the key properties of (2-methyl-2-propylpentyl) acetate?
(2-methyl-2-propylpentyl) acetate has a molecular weight of 186.29 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-propylpentyl) acetate is sourced from PubChem (CID 89417633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).