(7-acetyloxy-3,7-dimethyloctyl) acetate

C14H26O4 — CID 11054351

IUPAC(7-acetyloxy-3,7-dimethyloctyl) acetate
SMILESCC(=O)OCCC(C)CCCC(C)(C)OC(C)=O
InChIInChI=1S/C14H26O4/c1-11(8-10-17-12(2)15)7-6-9-14(4,5)18-13(3)16/h11H,6-10H2,1-5H3
InChIKeyJMSDKXBECVIGMD-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.09
Rot. Bonds8

About (7-acetyloxy-3,7-dimethyloctyl) acetate

(7-acetyloxy-3,7-dimethyloctyl) acetate (PubChem CID 11054351) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (7-acetyloxy-3,7-dimethyloctyl) acetate.

Molecular Properties

Compound Name(7-acetyloxy-3,7-dimethyloctyl) acetate
PubChem CID11054351
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(7-acetyloxy-3,7-dimethyloctyl) acetate
SMILESCC(=O)OCCC(C)CCCC(C)(C)OC(C)=O
InChIInChI=1S/C14H26O4/c1-11(8-10-17-12(2)15)7-6-9-14(4,5)18-13(3)16/h11H,6-10H2,1-5H3
InChIKeyJMSDKXBECVIGMD-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-acetyloxy-3,7-dimethyloctyl) acetate?
The IUPAC name of (7-acetyloxy-3,7-dimethyloctyl) acetate (CID 11054351) is (7-acetyloxy-3,7-dimethyloctyl) acetate.
What is the SMILES notation for (7-acetyloxy-3,7-dimethyloctyl) acetate?
The canonical SMILES for (7-acetyloxy-3,7-dimethyloctyl) acetate is CC(=O)OCCC(C)CCCC(C)(C)OC(C)=O.
What is the InChIKey of (7-acetyloxy-3,7-dimethyloctyl) acetate?
The InChIKey is JMSDKXBECVIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-11(8-10-17-12(2)15)7-6-9-14(4,5)18-13(3)16/h11H,6-10H2,1-5H3.
What are the key properties of (7-acetyloxy-3,7-dimethyloctyl) acetate?
(7-acetyloxy-3,7-dimethyloctyl) acetate has a molecular weight of 258.36 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetyloxy-3,7-dimethyloctyl) acetate is sourced from PubChem (CID 11054351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).