4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane

C15H30O2 — CID 19985298

IUPAC4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane
SMILESC=CCOCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C15H30O2/c1-7-8-17-12-15(11-16-6,9-13(2)3)10-14(4)5/h7,13-14H,1,8-12H2,2-6H3
InChIKeyZRNLQCYPLHJNCU-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.91
Rot. Bonds10

About 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane

4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane (PubChem CID 19985298) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane.

Molecular Properties

Compound Name4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane
PubChem CID19985298
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane
SMILESC=CCOCC(COC)(CC(C)C)CC(C)C
InChIInChI=1S/C15H30O2/c1-7-8-17-12-15(11-16-6,9-13(2)3)10-14(4)5/h7,13-14H,1,8-12H2,2-6H3
InChIKeyZRNLQCYPLHJNCU-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethoxymethyl)-4-(methoxymethyl)-2,6-dimethylheptane
CID 152544826
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985334
[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-trimethylsilane
CID 86607184
3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
CID 101473517
ethyl-[2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentoxy]-dimethylsilane
CID 87775581
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690
2-[2-[2-[2-[2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]-3-prop-2-enoxypropoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 123473383
[2,2-bis(methoxymethyl)-4-methylpentyl]cyclobutane
CID 141250115
2,2-bis(prop-2-enoxymethyl)butan-1-ol;titanium(3+)
CID 175725412
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
CID 88725463
2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane?
The IUPAC name of 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane (CID 19985298) is 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane.
What is the SMILES notation for 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane?
The canonical SMILES for 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane is C=CCOCC(COC)(CC(C)C)CC(C)C.
What is the InChIKey of 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane?
The InChIKey is ZRNLQCYPLHJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-8-17-12-15(11-16-6,9-13(2)3)10-14(4)5/h7,13-14H,1,8-12H2,2-6H3.
What are the key properties of 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane?
4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane has a molecular weight of 242.40 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2,6-dimethyl-4-(prop-2-enoxymethyl)heptane is sourced from PubChem (CID 19985298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).