2-methoxypropan-2-ylcyclohexane

C10H20O — CID 3016984

IUPAC2-methoxypropan-2-ylcyclohexane
SMILESCOC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20O/c1-10(2,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyIBAJWKQKPIIFQU-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds2

About 2-methoxypropan-2-ylcyclohexane

2-methoxypropan-2-ylcyclohexane (PubChem CID 3016984) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methoxypropan-2-ylcyclohexane.

Molecular Properties

Compound Name2-methoxypropan-2-ylcyclohexane
PubChem CID3016984
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methoxypropan-2-ylcyclohexane
SMILESCOC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20O/c1-10(2,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyIBAJWKQKPIIFQU-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-2-ylcyclohexane?
The IUPAC name of 2-methoxypropan-2-ylcyclohexane (CID 3016984) is 2-methoxypropan-2-ylcyclohexane.
What is the SMILES notation for 2-methoxypropan-2-ylcyclohexane?
The canonical SMILES for 2-methoxypropan-2-ylcyclohexane is COC(C)(C)C1CCCCC1.
What is the InChIKey of 2-methoxypropan-2-ylcyclohexane?
The InChIKey is IBAJWKQKPIIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-10(2,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-methoxypropan-2-ylcyclohexane?
2-methoxypropan-2-ylcyclohexane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-ylcyclohexane is sourced from PubChem (CID 3016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).