2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene

C9H14O3 — CID 12937299

IUPAC2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCOC1C=CC2(CCC(C)O2)O1
InChIInChI=1S/C9H14O3/c1-7-3-5-9(11-7)6-4-8(10-2)12-9/h4,6-8H,3,5H2,1-2H3
InChIKeyQCMFTPARLNFGIU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.44
Rot. Bonds1

About 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene

2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 12937299) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID12937299
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene
SMILESCOC1C=CC2(CCC(C)O2)O1
InChIInChI=1S/C9H14O3/c1-7-3-5-9(11-7)6-4-8(10-2)12-9/h4,6-8H,3,5H2,1-2H3
InChIKeyQCMFTPARLNFGIU-UHFFFAOYSA-N
XLogP1.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene (CID 12937299) is 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene is COC1C=CC2(CCC(C)O2)O1.
What is the InChIKey of 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is QCMFTPARLNFGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7-3-5-9(11-7)6-4-8(10-2)12-9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene?
2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 170.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 12937299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).