(6-ethyl-4-methyldecan-4-yl) acetate

C15H30O2 — CID 87430361

IUPAC(6-ethyl-4-methyldecan-4-yl) acetate
SMILESCCCCC(CC)CC(C)(CCC)OC(C)=O
InChIInChI=1S/C15H30O2/c1-6-9-10-14(8-3)12-15(5,11-7-2)17-13(4)16/h14H,6-12H2,1-5H3
InChIKeyMJNLUMDQXFSRSF-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.71
Rot. Bonds9

About (6-ethyl-4-methyldecan-4-yl) acetate

(6-ethyl-4-methyldecan-4-yl) acetate (PubChem CID 87430361) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (6-ethyl-4-methyldecan-4-yl) acetate.

Molecular Properties

Compound Name(6-ethyl-4-methyldecan-4-yl) acetate
PubChem CID87430361
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(6-ethyl-4-methyldecan-4-yl) acetate
SMILESCCCCC(CC)CC(C)(CCC)OC(C)=O
InChIInChI=1S/C15H30O2/c1-6-9-10-14(8-3)12-15(5,11-7-2)17-13(4)16/h14H,6-12H2,1-5H3
InChIKeyMJNLUMDQXFSRSF-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylheptan-4-yl acetate
CID 58165665
2,4-dimethyloctan-4-yl acetate
CID 13307726
4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
CID 59838559
tert-butyl 3-ethylheptanoate
CID 545580
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
2-(2-ethylhexoxy)-2-methylpentanoic acid
CID 114994394
(5-ethyl-3-methylnonan-3-yl) 7-methyl-7-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]decanoate
CID 123656649
6-ethyl-3,4-dimethyl-4-propyldecane
CID 123655302
acetic acid;2-ethylhexyl acetate
CID 159619780
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
CID 141476577

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-4-methyldecan-4-yl) acetate?
The IUPAC name of (6-ethyl-4-methyldecan-4-yl) acetate (CID 87430361) is (6-ethyl-4-methyldecan-4-yl) acetate.
What is the SMILES notation for (6-ethyl-4-methyldecan-4-yl) acetate?
The canonical SMILES for (6-ethyl-4-methyldecan-4-yl) acetate is CCCCC(CC)CC(C)(CCC)OC(C)=O.
What is the InChIKey of (6-ethyl-4-methyldecan-4-yl) acetate?
The InChIKey is MJNLUMDQXFSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-9-10-14(8-3)12-15(5,11-7-2)17-13(4)16/h14H,6-12H2,1-5H3.
What are the key properties of (6-ethyl-4-methyldecan-4-yl) acetate?
(6-ethyl-4-methyldecan-4-yl) acetate has a molecular weight of 242.40 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4-methyldecan-4-yl) acetate is sourced from PubChem (CID 87430361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).