2-ethyl-2-methyloxepane

C9H18O — CID 144595022

IUPAC2-ethyl-2-methyloxepane
SMILESCCC1(C)CCCCCO1
InChIInChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10-9/h3-8H2,1-2H3
InChIKeyORKSFQLVNMTKRS-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds1

About 2-ethyl-2-methyloxepane

2-ethyl-2-methyloxepane (PubChem CID 144595022) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-ethyl-2-methyloxepane.

Molecular Properties

Compound Name2-ethyl-2-methyloxepane
PubChem CID144595022
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-ethyl-2-methyloxepane
SMILESCCC1(C)CCCCCO1
InChIInChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10-9/h3-8H2,1-2H3
InChIKeyORKSFQLVNMTKRS-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 161949
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(Ethoxymethyl)cyclododecane
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Furan, 2-butyltetrahydro-2-methyl-
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2-Methoxy-2-methylnonane
CID 12714348
2,2-Dimethyloxepane
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2-Methoxy-2-methylundecane
CID 15635904
1-Oxaspiro[6.6]tridecane
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2-Ethyl-2-pentyloxirane
CID 21631842
1-Methoxy-1-methylcycloheptane
CID 53732520
5-Methyl-2-propan-2-yloxepane
CID 69102232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyloxepane?
The IUPAC name of 2-ethyl-2-methyloxepane (CID 144595022) is 2-ethyl-2-methyloxepane.
What is the SMILES notation for 2-ethyl-2-methyloxepane?
The canonical SMILES for 2-ethyl-2-methyloxepane is CCC1(C)CCCCCO1.
What is the InChIKey of 2-ethyl-2-methyloxepane?
The InChIKey is ORKSFQLVNMTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10-9/h3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-methyloxepane?
2-ethyl-2-methyloxepane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyloxepane is sourced from PubChem (CID 144595022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).