7-ethyl-2-oxaspiro[3.3]heptane

C8H14O — CID 162428852

IUPAC7-ethyl-2-oxaspiro[3.3]heptane
SMILESCCC1CCC12COC2
InChIInChI=1S/C8H14O/c1-2-7-3-4-8(7)5-9-6-8/h7H,2-6H2,1H3
InChIKeyNFOONFHSUWNHMA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds1

About 7-ethyl-2-oxaspiro[3.3]heptane

7-ethyl-2-oxaspiro[3.3]heptane (PubChem CID 162428852) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 7-ethyl-2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name7-ethyl-2-oxaspiro[3.3]heptane
PubChem CID162428852
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name7-ethyl-2-oxaspiro[3.3]heptane
SMILESCCC1CCC12COC2
InChIInChI=1S/C8H14O/c1-2-7-3-4-8(7)5-9-6-8/h7H,2-6H2,1H3
InChIKeyNFOONFHSUWNHMA-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-ethyl-2-oxaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173483395
CID 173483395
azane;2-ethyl-1,1-dimethylcyclobutane
CID 174315226
6-ethyl-2-oxa-5-azaspiro[3.5]nonane
CID 146204488
(4R)-4-ethyl-3,3-dimethyloxolane
CID 166089274
7-[(2-methylpropan-2-yl)oxy]-2-oxaspiro[3.3]heptane
CID 166528165
1,3-diethyl-1,2,2-trimethylcyclopentane
CID 123762745
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol
CID 176672026
9-ethyl-6-azaspiro[3.5]nonane
CID 168959598
2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]
CID 90914786
(2R)-2-ethylspiro[2.4]heptane
CID 147630807
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-oxaspiro[3.3]heptane?
The IUPAC name of 7-ethyl-2-oxaspiro[3.3]heptane (CID 162428852) is 7-ethyl-2-oxaspiro[3.3]heptane.
What is the SMILES notation for 7-ethyl-2-oxaspiro[3.3]heptane?
The canonical SMILES for 7-ethyl-2-oxaspiro[3.3]heptane is CCC1CCC12COC2.
What is the InChIKey of 7-ethyl-2-oxaspiro[3.3]heptane?
The InChIKey is NFOONFHSUWNHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-7-3-4-8(7)5-9-6-8/h7H,2-6H2,1H3.
What are the key properties of 7-ethyl-2-oxaspiro[3.3]heptane?
7-ethyl-2-oxaspiro[3.3]heptane has a molecular weight of 126.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-oxaspiro[3.3]heptane is sourced from PubChem (CID 162428852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).