cycloheptane;oxolane

C11H22O — CID 23033083

IUPACcycloheptane;oxolane
SMILESC1CCCCCC1.C1CCOC1
InChIInChI=1S/C7H14.C4H8O/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H2;1-4H2
InChIKeyFETBINOAMVUEGN-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds

About cycloheptane;oxolane

cycloheptane;oxolane (PubChem CID 23033083) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cycloheptane;oxolane.

Molecular Properties

Compound Namecycloheptane;oxolane
PubChem CID23033083
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecycloheptane;oxolane
SMILESC1CCCCCC1.C1CCOC1
InChIInChI=1S/C7H14.C4H8O/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H2;1-4H2
InChIKeyFETBINOAMVUEGN-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptane;oxolane?
The IUPAC name of cycloheptane;oxolane (CID 23033083) is cycloheptane;oxolane.
What is the SMILES notation for cycloheptane;oxolane?
The canonical SMILES for cycloheptane;oxolane is C1CCCCCC1.C1CCOC1.
What is the InChIKey of cycloheptane;oxolane?
The InChIKey is FETBINOAMVUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C4H8O/c1-2-4-6-7-5-3-1;1-2-4-5-3-1/h1-7H2;1-4H2.
What are the key properties of cycloheptane;oxolane?
cycloheptane;oxolane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane;oxolane is sourced from PubChem (CID 23033083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).