2-methyl-7-methylideneoxepane

C8H14O — CID 70423571

IUPAC2-methyl-7-methylideneoxepane
SMILESC=C1CCCCC(C)O1
InChIInChI=1S/C8H14O/c1-7-5-3-4-6-8(2)9-7/h8H,1,3-6H2,2H3
InChIKeyNTXUCZAUSCGFTI-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.48
Rot. Bonds

About 2-methyl-7-methylideneoxepane

2-methyl-7-methylideneoxepane (PubChem CID 70423571) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-7-methylideneoxepane.

Molecular Properties

Compound Name2-methyl-7-methylideneoxepane
PubChem CID70423571
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methyl-7-methylideneoxepane
SMILESC=C1CCCCC(C)O1
InChIInChI=1S/C8H14O/c1-7-5-3-4-6-8(2)9-7/h8H,1,3-6H2,2H3
InChIKeyNTXUCZAUSCGFTI-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylideneoxepane?
The IUPAC name of 2-methyl-7-methylideneoxepane (CID 70423571) is 2-methyl-7-methylideneoxepane.
What is the SMILES notation for 2-methyl-7-methylideneoxepane?
The canonical SMILES for 2-methyl-7-methylideneoxepane is C=C1CCCCC(C)O1.
What is the InChIKey of 2-methyl-7-methylideneoxepane?
The InChIKey is NTXUCZAUSCGFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-5-3-4-6-8(2)9-7/h8H,1,3-6H2,2H3.
What are the key properties of 2-methyl-7-methylideneoxepane?
2-methyl-7-methylideneoxepane has a molecular weight of 126.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylideneoxepane is sourced from PubChem (CID 70423571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).