2-methoxypropan-2-ylcycloheptane

C11H22O — CID 3023091

IUPAC2-methoxypropan-2-ylcycloheptane
SMILESCOC(C)(C)C1CCCCCC1
InChIInChI=1S/C11H22O/c1-11(2,12-3)10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3
InChIKeySGSKWKGPQDARMQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds2

About 2-methoxypropan-2-ylcycloheptane

2-methoxypropan-2-ylcycloheptane (PubChem CID 3023091) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methoxypropan-2-ylcycloheptane.

Molecular Properties

Compound Name2-methoxypropan-2-ylcycloheptane
PubChem CID3023091
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-methoxypropan-2-ylcycloheptane
SMILESCOC(C)(C)C1CCCCCC1
InChIInChI=1S/C11H22O/c1-11(2,12-3)10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3
InChIKeySGSKWKGPQDARMQ-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-2-ylcycloheptane?
The IUPAC name of 2-methoxypropan-2-ylcycloheptane (CID 3023091) is 2-methoxypropan-2-ylcycloheptane.
What is the SMILES notation for 2-methoxypropan-2-ylcycloheptane?
The canonical SMILES for 2-methoxypropan-2-ylcycloheptane is COC(C)(C)C1CCCCCC1.
What is the InChIKey of 2-methoxypropan-2-ylcycloheptane?
The InChIKey is SGSKWKGPQDARMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-11(2,12-3)10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-methoxypropan-2-ylcycloheptane?
2-methoxypropan-2-ylcycloheptane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-ylcycloheptane is sourced from PubChem (CID 3023091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).