1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane

C12H22O3 — CID 145030212

IUPAC1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane
SMILESC=C1CC(OC)CC(OC(C)(C)OC)C1
InChIInChI=1S/C12H22O3/c1-9-6-10(13-4)8-11(7-9)15-12(2,3)14-5/h10-11H,1,6-8H2,2-5H3
InChIKeyUPKBVRJKDDKKMM-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.51
Rot. Bonds4

About 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane

1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane (PubChem CID 145030212) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane
PubChem CID145030212
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane
SMILESC=C1CC(OC)CC(OC(C)(C)OC)C1
InChIInChI=1S/C12H22O3/c1-9-6-10(13-4)8-11(7-9)15-12(2,3)14-5/h10-11H,1,6-8H2,2-5H3
InChIKeyUPKBVRJKDDKKMM-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane?
The IUPAC name of 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane (CID 145030212) is 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane.
What is the SMILES notation for 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane?
The canonical SMILES for 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane is C=C1CC(OC)CC(OC(C)(C)OC)C1.
What is the InChIKey of 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane?
The InChIKey is UPKBVRJKDDKKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9-6-10(13-4)8-11(7-9)15-12(2,3)14-5/h10-11H,1,6-8H2,2-5H3.
What are the key properties of 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane?
1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane has a molecular weight of 214.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane is sourced from PubChem (CID 145030212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).