propan-2-yl 2-methyl-2-propylpentanoate

C12H24O2 — CID 118411405

IUPACpropan-2-yl 2-methyl-2-propylpentanoate
SMILESCCCC(C)(CCC)C(=O)OC(C)C
InChIInChI=1S/C12H24O2/c1-6-8-12(5,9-7-2)11(13)14-10(3)4/h10H,6-9H2,1-5H3
InChIKeyBRIVQUKJACDKSH-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.54
Rot. Bonds6

About propan-2-yl 2-methyl-2-propylpentanoate

propan-2-yl 2-methyl-2-propylpentanoate (PubChem CID 118411405) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is propan-2-yl 2-methyl-2-propylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-2-propylpentanoate
PubChem CID118411405
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namepropan-2-yl 2-methyl-2-propylpentanoate
SMILESCCCC(C)(CCC)C(=O)OC(C)C
InChIInChI=1S/C12H24O2/c1-6-8-12(5,9-7-2)11(13)14-10(3)4/h10H,6-9H2,1-5H3
InChIKeyBRIVQUKJACDKSH-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

decapropan-2-yl 1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylate
CID 130232997
propan-2-yl 2-ethyl-2,3-dimethylbutanoate
CID 87568455
4-methylheptan-4-yl 2-methyl-2-propylhexanoate
CID 170297698
propan-2-yl 2-butoxycarbonyloxy-2-methylpropanoate
CID 156801074
(1-cyclohexyloxy-3-methylbutyl) 2-methyl-2-propylpentanoate
CID 123853754
prop-2-enyl 2,4-dimethyl-2-propylpentanoate
CID 166811220
tetradecyl 2-methyl-2-propyldecanoate
CID 175595393
tetradecyl 2-methyl-2-propylundecanoate
CID 175595471
propan-2-yl 3-ethyl-2,2-dimethyl-3-(2-methylpropyl)heptanoate
CID 174413774
ethenyl 2-methyl-2-propylheptanoate
CID 146579738
propan-2-yl 2,2-didodecoxypropanoate
CID 20559771
dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-2-propylpentanoate?
The IUPAC name of propan-2-yl 2-methyl-2-propylpentanoate (CID 118411405) is propan-2-yl 2-methyl-2-propylpentanoate.
What is the SMILES notation for propan-2-yl 2-methyl-2-propylpentanoate?
The canonical SMILES for propan-2-yl 2-methyl-2-propylpentanoate is CCCC(C)(CCC)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methyl-2-propylpentanoate?
The InChIKey is BRIVQUKJACDKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-8-12(5,9-7-2)11(13)14-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of propan-2-yl 2-methyl-2-propylpentanoate?
propan-2-yl 2-methyl-2-propylpentanoate has a molecular weight of 200.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-2-propylpentanoate is sourced from PubChem (CID 118411405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).