3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane

C24H52O4 — CID 22373213

IUPAC3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
SMILESCOCC(CCC(C)C)(COC)C(C)C.COCC(COC)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2.C11H24O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4;1-9(2)11(7-12-5,8-13-6)10(3)4/h11-12H,7-10H2,1-6H3;9-10H,7-8H2,1-6H3
InChIKeyKYAXANBLDNDPDM-UHFFFAOYSA-N
MW404.68 g/mol
LogP5.94
Rot. Bonds14

About 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane

3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane (PubChem CID 22373213) has the molecular formula C24H52O4 and a molecular weight of 404.68 g/mol. Its IUPAC name is 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane.

Molecular Properties

Compound Name3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
PubChem CID22373213
Molecular FormulaC24H52O4
Molecular Weight404.68 g/mol
Exact Mass404.39
IUPAC Name3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
SMILESCOCC(CCC(C)C)(COC)C(C)C.COCC(COC)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2.C11H24O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4;1-9(2)11(7-12-5,8-13-6)10(3)4/h11-12H,7-10H2,1-6H3;9-10H,7-8H2,1-6H3
InChIKeyKYAXANBLDNDPDM-UHFFFAOYSA-N
XLogP5.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
CID 170393196
5,6-dimethoxy-4,7-bis(methoxymethyl)-2,10-dimethyl-4-(2-methylpropyl)-7-propan-2-ylundecane
CID 57188585
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
1-bromo-2-(bromomethyl)-2-(methoxymethyl)-3-methylbutane
CID 103985334
2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
1-methoxy-2,5-dimethylhexan-2-amine
CID 62619989
3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
CID 22372611
3-(methoxymethyl)-6-methylheptan-3-ol
CID 65149499
4,4-bis(methoxymethyl)-3,7-dimethylnonane
CID 177251110
N,N-diethyl-2-(methoxymethyl)-4-methyl-2-propan-2-ylpentan-1-amine
CID 139968885
2-(methoxymethyl)-N,N-dimethyl-2-propan-2-ylpentan-1-amine
CID 139968966

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane?
The IUPAC name of 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane (CID 22373213) is 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane.
What is the SMILES notation for 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane?
The canonical SMILES for 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane is COCC(CCC(C)C)(COC)C(C)C.COCC(COC)(C(C)C)C(C)C.
What is the InChIKey of 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane?
The InChIKey is KYAXANBLDNDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.C11H24O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4;1-9(2)11(7-12-5,8-13-6)10(3)4/h11-12H,7-10H2,1-6H3;9-10H,7-8H2,1-6H3.
What are the key properties of 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane?
3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane has a molecular weight of 404.68 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane is sourced from PubChem (CID 22373213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).