(3-methoxy-2-methylpropoxy)methylcyclohexane

C12H24O2 — CID 70820898

IUPAC(3-methoxy-2-methylpropoxy)methylcyclohexane
SMILESCOCC(C)COCC1CCCCC1
InChIInChI=1S/C12H24O2/c1-11(8-13-2)9-14-10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyPLLLOVDDKLUSGV-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.87
Rot. Bonds6

About (3-methoxy-2-methylpropoxy)methylcyclohexane

(3-methoxy-2-methylpropoxy)methylcyclohexane (PubChem CID 70820898) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3-methoxy-2-methylpropoxy)methylcyclohexane.

Molecular Properties

Compound Name(3-methoxy-2-methylpropoxy)methylcyclohexane
PubChem CID70820898
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3-methoxy-2-methylpropoxy)methylcyclohexane
SMILESCOCC(C)COCC1CCCCC1
InChIInChI=1S/C12H24O2/c1-11(8-13-2)9-14-10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyPLLLOVDDKLUSGV-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylpropoxy)methylcyclohexane?
The IUPAC name of (3-methoxy-2-methylpropoxy)methylcyclohexane (CID 70820898) is (3-methoxy-2-methylpropoxy)methylcyclohexane.
What is the SMILES notation for (3-methoxy-2-methylpropoxy)methylcyclohexane?
The canonical SMILES for (3-methoxy-2-methylpropoxy)methylcyclohexane is COCC(C)COCC1CCCCC1.
What is the InChIKey of (3-methoxy-2-methylpropoxy)methylcyclohexane?
The InChIKey is PLLLOVDDKLUSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(8-13-2)9-14-10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of (3-methoxy-2-methylpropoxy)methylcyclohexane?
(3-methoxy-2-methylpropoxy)methylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylpropoxy)methylcyclohexane is sourced from PubChem (CID 70820898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).