(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane

C12H24O2 — CID 13114603

IUPAC(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCOCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H24O2/c1-9(2)11-6-5-10(3)7-12(11)14-8-13-4/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1
InChIKeyIMFNXDRFEFZAIK-GRYCIOLGSA-N
MW200.32 g/mol
LogP3.07
Rot. Bonds4

About (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane

(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 13114603) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID13114603
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCOCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H24O2/c1-9(2)11-6-5-10(3)7-12(11)14-8-13-4/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1
InChIKeyIMFNXDRFEFZAIK-GRYCIOLGSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane (CID 13114603) is (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane is COCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IMFNXDRFEFZAIK-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)11-6-5-10(3)7-12(11)14-8-13-4/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1.
What are the key properties of (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
(1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(methoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 13114603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).