4,5-bis(methoxymethyl)-2,2-dimethylnonane

C15H32O2 — CID 142709822

IUPAC4,5-bis(methoxymethyl)-2,2-dimethylnonane
SMILESCCCCC(COC)C(COC)CC(C)(C)C
InChIInChI=1S/C15H32O2/c1-7-8-9-13(11-16-5)14(12-17-6)10-15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyJBJMWWKLWMCYOW-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.14
Rot. Bonds9

About 4,5-bis(methoxymethyl)-2,2-dimethylnonane

4,5-bis(methoxymethyl)-2,2-dimethylnonane (PubChem CID 142709822) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-2,2-dimethylnonane.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-2,2-dimethylnonane
PubChem CID142709822
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name4,5-bis(methoxymethyl)-2,2-dimethylnonane
SMILESCCCCC(COC)C(COC)CC(C)(C)C
InChIInChI=1S/C15H32O2/c1-7-8-9-13(11-16-5)14(12-17-6)10-15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyJBJMWWKLWMCYOW-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(methoxymethyl)undecane
CID 142709817
hexane;2,2,4-trimethyloctane
CID 174278610
8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane
CID 172616922
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane
CID 172616679
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
CID 175461181
2-chloro-1-methoxyhexane
CID 13146998
2,2,4,5-tetramethylnonane
CID 57490937
5-(methoxymethyl)decane
CID 123387036
ethylperoxyethane;3-methylheptane;2,2,4-trimethylhexane
CID 160854637
2,2,4-trimethylundecane
CID 57127021
2,2,4-trimethyltetradecane
CID 19913540

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-2,2-dimethylnonane?
The IUPAC name of 4,5-bis(methoxymethyl)-2,2-dimethylnonane (CID 142709822) is 4,5-bis(methoxymethyl)-2,2-dimethylnonane.
What is the SMILES notation for 4,5-bis(methoxymethyl)-2,2-dimethylnonane?
The canonical SMILES for 4,5-bis(methoxymethyl)-2,2-dimethylnonane is CCCCC(COC)C(COC)CC(C)(C)C.
What is the InChIKey of 4,5-bis(methoxymethyl)-2,2-dimethylnonane?
The InChIKey is JBJMWWKLWMCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-7-8-9-13(11-16-5)14(12-17-6)10-15(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 4,5-bis(methoxymethyl)-2,2-dimethylnonane?
4,5-bis(methoxymethyl)-2,2-dimethylnonane has a molecular weight of 244.42 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-2,2-dimethylnonane is sourced from PubChem (CID 142709822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).