6-methyl-1,4-dioxaspiro[4.5]dec-6-ene

C9H14O2 — CID 11137374

IUPAC6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CCCCC12OCCO2
InChIInChI=1S/C9H14O2/c1-8-4-2-3-5-9(8)10-6-7-11-9/h4H,2-3,5-7H2,1H3
InChIKeyNRKFVIAYPQUYTP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds

About 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene

6-methyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 11137374) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID11137374
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CCCCC12OCCO2
InChIInChI=1S/C9H14O2/c1-8-4-2-3-5-9(8)10-6-7-11-9/h4H,2-3,5-7H2,1H3
InChIKeyNRKFVIAYPQUYTP-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxaspiro(4.6)undec-6-ene
CID 279481
3,4-Dehydrobrevicomin
CID 536095
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 10986460
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
2-[(E)-2-methylundec-1-enyl]-1,3-dioxolane
CID 101056458
2-[(Z)-2-methylundec-1-enyl]-1,3-dioxolane
CID 134995175
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
(3aS,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 58805455
7-(Fluoromethyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 170721185

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 11137374) is 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1=CCCCC12OCCO2.
What is the InChIKey of 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is NRKFVIAYPQUYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-4-2-3-5-9(8)10-6-7-11-9/h4H,2-3,5-7H2,1H3.
What are the key properties of 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
6-methyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 154.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 11137374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).