7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene

C10H16O2 — CID 58626947

IUPAC7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C10H16O2/c1-8-3-4-10(7-9(8)2)11-5-6-12-10/h3-7H2,1-2H3
InChIKeyDQJYMSMQDUZLRI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds

About 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene

7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 58626947) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID58626947
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C10H16O2/c1-8-3-4-10(7-9(8)2)11-5-6-12-10/h3-7H2,1-2H3
InChIKeyDQJYMSMQDUZLRI-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 58626947) is 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene is CC1=C(C)CC2(CC1)OCCO2.
What is the InChIKey of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is DQJYMSMQDUZLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-3-4-10(7-9(8)2)11-5-6-12-10/h3-7H2,1-2H3.
What are the key properties of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene?
7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 58626947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).