3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane

C12H24O2 — CID 87932704

IUPAC3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(COC)(OC)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-8-10(2)12(14-7,9-13-6)11(3,4)5/h2,8-9H2,1,3-7H3
InChIKeyVJCWNOMIFLEJNT-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.03
Rot. Bonds5

About 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane

3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane (PubChem CID 87932704) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane.

Molecular Properties

Compound Name3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane
PubChem CID87932704
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane
SMILESC=C(CC)C(COC)(OC)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-8-10(2)12(14-7,9-13-6)11(3,4)5/h2,8-9H2,1,3-7H3
InChIKeyVJCWNOMIFLEJNT-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane?
The IUPAC name of 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane (CID 87932704) is 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane.
What is the SMILES notation for 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane?
The canonical SMILES for 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane is C=C(CC)C(COC)(OC)C(C)(C)C.
What is the InChIKey of 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane?
The InChIKey is VJCWNOMIFLEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-8-10(2)12(14-7,9-13-6)11(3,4)5/h2,8-9H2,1,3-7H3.
What are the key properties of 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane?
3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane has a molecular weight of 200.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane is sourced from PubChem (CID 87932704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).