4,4-bis(ethoxymethyl)heptane

C13H28O2 — CID 22140461

IUPAC4,4-bis(ethoxymethyl)heptane
SMILESCCCC(CCC)(COCC)COCC
InChIInChI=1S/C13H28O2/c1-5-9-13(10-6-2,11-14-7-3)12-15-8-4/h5-12H2,1-4H3
InChIKeyDDONJMJAIMKSOS-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.65
Rot. Bonds10

About 4,4-bis(ethoxymethyl)heptane

4,4-bis(ethoxymethyl)heptane (PubChem CID 22140461) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 4,4-bis(ethoxymethyl)heptane.

Molecular Properties

Compound Name4,4-bis(ethoxymethyl)heptane
PubChem CID22140461
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name4,4-bis(ethoxymethyl)heptane
SMILESCCCC(CCC)(COCC)COCC
InChIInChI=1S/C13H28O2/c1-5-9-13(10-6-2,11-14-7-3)12-15-8-4/h5-12H2,1-4H3
InChIKeyDDONJMJAIMKSOS-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxt-212
CID 21867834
2-Isobutyl-2-isopropyl-1,3-dimethoxypropane
CID 11138158
2-Butyl-2-ethyl-1,3-dimethoxypropane
CID 17809800
4,4-Bis(methoxymethyl)-2,6-dimethylheptane
CID 21894358
7-(4,4-Dimethylpentoxy)heptyl hypofluorite
CID 155479331
3-Ethyl-3-(methoxymethyl)-2-propyloxetane
CID 155117177
Bis(butoxymethyl)cyclopentane
CID 91010285
1,1-Bisethoxymethyl cyclopentane
CID 156613166
1-Methoxy-2-(methoxymethyl)-2-methylpentane
CID 11040999
4-Ethyl-3-methoxy-4-(methoxymethyl)-2,6-dimethylheptane
CID 17829671
1-Methoxy-2-(methoxymethyl)-2-methylhexane
CID 18622381
3,3-Bis(methoxymethyl)hexane
CID 18737377

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethoxymethyl)heptane?
The IUPAC name of 4,4-bis(ethoxymethyl)heptane (CID 22140461) is 4,4-bis(ethoxymethyl)heptane.
What is the SMILES notation for 4,4-bis(ethoxymethyl)heptane?
The canonical SMILES for 4,4-bis(ethoxymethyl)heptane is CCCC(CCC)(COCC)COCC.
What is the InChIKey of 4,4-bis(ethoxymethyl)heptane?
The InChIKey is DDONJMJAIMKSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-9-13(10-6-2,11-14-7-3)12-15-8-4/h5-12H2,1-4H3.
What are the key properties of 4,4-bis(ethoxymethyl)heptane?
4,4-bis(ethoxymethyl)heptane has a molecular weight of 216.36 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethoxymethyl)heptane is sourced from PubChem (CID 22140461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).