5-methyl-2-propan-2-yloxepane

C10H20O — CID 69102232

IUPAC5-methyl-2-propan-2-yloxepane
SMILESCC1CCOC(C(C)C)CC1
InChIInChI=1S/C10H20O/c1-8(2)10-5-4-9(3)6-7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyTYXDRMGIXMWUMV-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds1

About 5-methyl-2-propan-2-yloxepane

5-methyl-2-propan-2-yloxepane (PubChem CID 69102232) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yloxepane.

Molecular Properties

Compound Name5-methyl-2-propan-2-yloxepane
PubChem CID69102232
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name5-methyl-2-propan-2-yloxepane
SMILESCC1CCOC(C(C)C)CC1
InChIInChI=1S/C10H20O/c1-8(2)10-5-4-9(3)6-7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyTYXDRMGIXMWUMV-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yloxepane?
The IUPAC name of 5-methyl-2-propan-2-yloxepane (CID 69102232) is 5-methyl-2-propan-2-yloxepane.
What is the SMILES notation for 5-methyl-2-propan-2-yloxepane?
The canonical SMILES for 5-methyl-2-propan-2-yloxepane is CC1CCOC(C(C)C)CC1.
What is the InChIKey of 5-methyl-2-propan-2-yloxepane?
The InChIKey is TYXDRMGIXMWUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)10-5-4-9(3)6-7-11-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yloxepane?
5-methyl-2-propan-2-yloxepane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yloxepane is sourced from PubChem (CID 69102232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).