2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane

C13H26O3 — CID 22020682

IUPAC2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane
SMILESCOCC1(C(C)C)C(OC)CCCC1OC
InChIInChI=1S/C13H26O3/c1-10(2)13(9-14-3)11(15-4)7-6-8-12(13)16-5/h10-12H,6-9H2,1-5H3
InChIKeySQGRQKOJODEHAP-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.49
Rot. Bonds5

About 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane

2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane (PubChem CID 22020682) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane
PubChem CID22020682
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane
SMILESCOCC1(C(C)C)C(OC)CCCC1OC
InChIInChI=1S/C13H26O3/c1-10(2)13(9-14-3)11(15-4)7-6-8-12(13)16-5/h10-12H,6-9H2,1-5H3
InChIKeySQGRQKOJODEHAP-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane?
The IUPAC name of 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane (CID 22020682) is 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane?
The canonical SMILES for 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane is COCC1(C(C)C)C(OC)CCCC1OC.
What is the InChIKey of 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane?
The InChIKey is SQGRQKOJODEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-10(2)13(9-14-3)11(15-4)7-6-8-12(13)16-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane?
2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane has a molecular weight of 230.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1-(methoxymethyl)-1-propan-2-ylcyclohexane is sourced from PubChem (CID 22020682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).