2-methyl-1,7-dioxaspiro[3.4]octane

C7H12O2 — CID 177019772

IUPAC2-methyl-1,7-dioxaspiro[3.4]octane
SMILESCC1CC2(CCOC2)O1
InChIInChI=1S/C7H12O2/c1-6-4-7(9-6)2-3-8-5-7/h6H,2-5H2,1H3
InChIKeyYJENGEARVTVSFO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.95
Rot. Bonds

About 2-methyl-1,7-dioxaspiro[3.4]octane

2-methyl-1,7-dioxaspiro[3.4]octane (PubChem CID 177019772) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methyl-1,7-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-1,7-dioxaspiro[3.4]octane
PubChem CID177019772
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methyl-1,7-dioxaspiro[3.4]octane
SMILESCC1CC2(CCOC2)O1
InChIInChI=1S/C7H12O2/c1-6-4-7(9-6)2-3-8-5-7/h6H,2-5H2,1H3
InChIKeyYJENGEARVTVSFO-UHFFFAOYSA-N
XLogP0.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936602
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
CID 79924212
(5S,7R)-N-cyclopentyl-N,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124875169
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
4-methylspiro[3,4-dihydrochromene-2,3'-oxolane]
CID 163386607
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
8-methyl-2-oxaspiro[4.5]decane
CID 118029245
acetaldehyde;2-methyl-6-oxaspiro[3.4]octane
CID 153364433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,7-dioxaspiro[3.4]octane?
The IUPAC name of 2-methyl-1,7-dioxaspiro[3.4]octane (CID 177019772) is 2-methyl-1,7-dioxaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-1,7-dioxaspiro[3.4]octane?
The canonical SMILES for 2-methyl-1,7-dioxaspiro[3.4]octane is CC1CC2(CCOC2)O1.
What is the InChIKey of 2-methyl-1,7-dioxaspiro[3.4]octane?
The InChIKey is YJENGEARVTVSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6-4-7(9-6)2-3-8-5-7/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-1,7-dioxaspiro[3.4]octane?
2-methyl-1,7-dioxaspiro[3.4]octane has a molecular weight of 128.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,7-dioxaspiro[3.4]octane is sourced from PubChem (CID 177019772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).