3-ethyl-3,7,7-trimethyloxocane

C12H24O — CID 91511483

IUPAC3-ethyl-3,7,7-trimethyloxocane
SMILESCCC1(C)CCCC(C)(C)COC1
InChIInChI=1S/C12H24O/c1-5-12(4)8-6-7-11(2,3)9-13-10-12/h5-10H2,1-4H3
InChIKeyGZMZIWCWPDRYDI-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds1

About 3-ethyl-3,7,7-trimethyloxocane

3-ethyl-3,7,7-trimethyloxocane (PubChem CID 91511483) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-ethyl-3,7,7-trimethyloxocane.

Molecular Properties

Compound Name3-ethyl-3,7,7-trimethyloxocane
PubChem CID91511483
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-ethyl-3,7,7-trimethyloxocane
SMILESCCC1(C)CCCC(C)(C)COC1
InChIInChI=1S/C12H24O/c1-5-12(4)8-6-7-11(2,3)9-13-10-12/h5-10H2,1-4H3
InChIKeyGZMZIWCWPDRYDI-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dihydrocitronellol ethyl ether, (+-)-
CID 90843
(Ethoxymethyl)cyclododecane
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Propylidendipropylather
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1-Ethoxy-3,6-dimethylnonane
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3-Fluoro-5-(methoxymethyl)-5-methylundecane
CID 172246865
3-Fluoro-5-(methoxymethyl)-3,5-dimethylundecane
CID 172247010
(2-Butyl-2-methyloctyl) hypofluorite
CID 172247142
(8R)-8-(methoxymethyl)-8-methylhexadecane
CID 168510199
Dihydrocitronellol ethyl ether, (S)-
CID 92283028
(R)-Dihydrocitronellol ethyl ether
CID 92283029
2-(Iodomethyl)-6,6-dimethyloxocane
CID 10755304

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,7,7-trimethyloxocane?
The IUPAC name of 3-ethyl-3,7,7-trimethyloxocane (CID 91511483) is 3-ethyl-3,7,7-trimethyloxocane.
What is the SMILES notation for 3-ethyl-3,7,7-trimethyloxocane?
The canonical SMILES for 3-ethyl-3,7,7-trimethyloxocane is CCC1(C)CCCC(C)(C)COC1.
What is the InChIKey of 3-ethyl-3,7,7-trimethyloxocane?
The InChIKey is GZMZIWCWPDRYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(4)8-6-7-11(2,3)9-13-10-12/h5-10H2,1-4H3.
What are the key properties of 3-ethyl-3,7,7-trimethyloxocane?
3-ethyl-3,7,7-trimethyloxocane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,7,7-trimethyloxocane is sourced from PubChem (CID 91511483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).