4,10-dimethyltridecan-7-yl acetate

C17H34O2 — CID 87224928

IUPAC4,10-dimethyltridecan-7-yl acetate
SMILESCCCC(C)CCC(CCC(C)CCC)OC(C)=O
InChIInChI=1S/C17H34O2/c1-6-8-14(3)10-12-17(19-16(5)18)13-11-15(4)9-7-2/h14-15,17H,6-13H2,1-5H3
InChIKeyATSMTLWVHCOQKM-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.35
Rot. Bonds11

About 4,10-dimethyltridecan-7-yl acetate

4,10-dimethyltridecan-7-yl acetate (PubChem CID 87224928) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 4,10-dimethyltridecan-7-yl acetate.

Molecular Properties

Compound Name4,10-dimethyltridecan-7-yl acetate
PubChem CID87224928
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name4,10-dimethyltridecan-7-yl acetate
SMILESCCCC(C)CCC(CCC(C)CCC)OC(C)=O
InChIInChI=1S/C17H34O2/c1-6-8-14(3)10-12-17(19-16(5)18)13-11-15(4)9-7-2/h14-15,17H,6-13H2,1-5H3
InChIKeyATSMTLWVHCOQKM-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10657820
(313C)heptan-4-yl acetate
CID 117065532
1-bromopentan-2-yl acetate
CID 14264119
(4S)-4-acetyloxyheptanoic acid
CID 166058872
azane;pentan-2-yl acetate
CID 174372937
ethane;4-methylheptan-2-one
CID 142986053
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
1-aminobutyl acetate
CID 22643639
16-hydroxyhexadecan-8-yl acetate
CID 175427631
[(4R)-1-iodopentadecan-4-yl] acetate
CID 10386040

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyltridecan-7-yl acetate?
The IUPAC name of 4,10-dimethyltridecan-7-yl acetate (CID 87224928) is 4,10-dimethyltridecan-7-yl acetate.
What is the SMILES notation for 4,10-dimethyltridecan-7-yl acetate?
The canonical SMILES for 4,10-dimethyltridecan-7-yl acetate is CCCC(C)CCC(CCC(C)CCC)OC(C)=O.
What is the InChIKey of 4,10-dimethyltridecan-7-yl acetate?
The InChIKey is ATSMTLWVHCOQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-6-8-14(3)10-12-17(19-16(5)18)13-11-15(4)9-7-2/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 4,10-dimethyltridecan-7-yl acetate?
4,10-dimethyltridecan-7-yl acetate has a molecular weight of 270.46 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyltridecan-7-yl acetate is sourced from PubChem (CID 87224928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).