6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene

C12H18O2 — CID 10397741

IUPAC6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OCCO2
InChIInChI=1S/C12H18O2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h4,11H,1,5-8H2,2-3H3
InChIKeyKDHFOGDPUWFYDW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds1

About 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene

6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10397741) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10397741
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=C(C)C1CC=C(C)C2(C1)OCCO2
InChIInChI=1S/C12H18O2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h4,11H,1,5-8H2,2-3H3
InChIKeyKDHFOGDPUWFYDW-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
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 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene (CID 10397741) is 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is C=C(C)C1CC=C(C)C2(C1)OCCO2.
What is the InChIKey of 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is KDHFOGDPUWFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)11-5-4-10(3)12(8-11)13-6-7-14-12/h4,11H,1,5-8H2,2-3H3.
What are the key properties of 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene?
6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10397741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).