3-methylidene-2-oxaspiro[4.4]nonane

C9H14O — CID 135023324

IUPAC3-methylidene-2-oxaspiro[4.4]nonane
SMILESC=C1CC2(CCCC2)CO1
InChIInChI=1S/C9H14O/c1-8-6-9(7-10-8)4-2-3-5-9/h1-7H2
InChIKeyJYWFACAVIATPJD-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.48
Rot. Bonds

About 3-methylidene-2-oxaspiro[4.4]nonane

3-methylidene-2-oxaspiro[4.4]nonane (PubChem CID 135023324) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methylidene-2-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name3-methylidene-2-oxaspiro[4.4]nonane
PubChem CID135023324
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-methylidene-2-oxaspiro[4.4]nonane
SMILESC=C1CC2(CCCC2)CO1
InChIInChI=1S/C9H14O/c1-8-6-9(7-10-8)4-2-3-5-9/h1-7H2
InChIKeyJYWFACAVIATPJD-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791815
4-(2,2-Dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
CID 58763811
2-Methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 90997735
4-Ethyl-4-(2-ethylbutyl)-2-methylideneoxolane
CID 142091926
1-Methyl-1-(2-prop-1-en-2-yloxyprop-2-enyl)cyclopentane
CID 143080441
(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 147973275
2-Methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791814
2-Methylidene-1-oxaspiro[4.4]nonane
CID 14560573
4-(2,2-Dimethylbutyl)-2-methylideneoxolane
CID 58763812

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-oxaspiro[4.4]nonane?
The IUPAC name of 3-methylidene-2-oxaspiro[4.4]nonane (CID 135023324) is 3-methylidene-2-oxaspiro[4.4]nonane.
What is the SMILES notation for 3-methylidene-2-oxaspiro[4.4]nonane?
The canonical SMILES for 3-methylidene-2-oxaspiro[4.4]nonane is C=C1CC2(CCCC2)CO1.
What is the InChIKey of 3-methylidene-2-oxaspiro[4.4]nonane?
The InChIKey is JYWFACAVIATPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-6-9(7-10-8)4-2-3-5-9/h1-7H2.
What are the key properties of 3-methylidene-2-oxaspiro[4.4]nonane?
3-methylidene-2-oxaspiro[4.4]nonane has a molecular weight of 138.21 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 3-methylidene-2-oxaspiro[4.4]nonane is sourced from PubChem (CID 135023324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).