2,4-dimethylpentan-3-yl propanoate;methane

C11H24O2 — CID 167541618

IUPAC2,4-dimethylpentan-3-yl propanoate;methane
SMILESC.CCC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C10H20O2.CH4/c1-6-9(11)12-10(7(2)3)8(4)5;/h7-8,10H,6H2,1-5H3;1H4
InChIKeyBGPJTYXBTUDUSL-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.26
Rot. Bonds4

About 2,4-dimethylpentan-3-yl propanoate;methane

2,4-dimethylpentan-3-yl propanoate;methane (PubChem CID 167541618) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl propanoate;methane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl propanoate;methane
PubChem CID167541618
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2,4-dimethylpentan-3-yl propanoate;methane
SMILESC.CCC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C10H20O2.CH4/c1-6-9(11)12-10(7(2)3)8(4)5;/h7-8,10H,6H2,1-5H3;1H4
InChIKeyBGPJTYXBTUDUSL-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propanoyloxybutan-2-yl propanoate
CID 14494224
4-O-(2,4-dimethylpentan-3-yl) 1-O-ethyl butanedioate
CID 91713409
propan-2-one;propan-2-yl propanoate
CID 161266557
2,4-dimethylpentan-3-yl decanoate
CID 58052157
[(2R,3S,4S,5S)-1,2,5,6-tetrahydroxy-4-propanoyloxyhexan-3-yl] propanoate
CID 102116279
[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate
CID 145115575
methane;1-propanoyloxyethyl 2-methylpropanoate
CID 161244899
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
2,4-dimethylpentan-3-yl (E)-oct-5-enoate
CID 140637119
(4-ethyl-2-methylhexan-3-yl) butanoate
CID 88974306
butan-2-yl propanoate;sulfur dioxide
CID 159892772
1-propanoyloxyethanesulfonic acid
CID 173197571

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl propanoate;methane?
The IUPAC name of 2,4-dimethylpentan-3-yl propanoate;methane (CID 167541618) is 2,4-dimethylpentan-3-yl propanoate;methane.
What is the SMILES notation for 2,4-dimethylpentan-3-yl propanoate;methane?
The canonical SMILES for 2,4-dimethylpentan-3-yl propanoate;methane is C.CCC(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl propanoate;methane?
The InChIKey is BGPJTYXBTUDUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.CH4/c1-6-9(11)12-10(7(2)3)8(4)5;/h7-8,10H,6H2,1-5H3;1H4.
What are the key properties of 2,4-dimethylpentan-3-yl propanoate;methane?
2,4-dimethylpentan-3-yl propanoate;methane has a molecular weight of 188.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl propanoate;methane is sourced from PubChem (CID 167541618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).