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

C12H20O2 — CID 177018399

IUPAC7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C12H20O2/c1-3-4-11-5-6-12(9-10(11)2)13-7-8-14-12/h3-9H2,1-2H3
InChIKeyXZBYXGJYGQNIES-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds2

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

7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 177018399) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID177018399
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C12H20O2/c1-3-4-11-5-6-12(9-10(11)2)13-7-8-14-12/h3-9H2,1-2H3
InChIKeyXZBYXGJYGQNIES-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
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

2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
8-(Propan-2-ylidene)-1,4-dioxaspiro[4.5]decane
CID 45789409
2-Methyl-2-(6-methylhept-6-enyl)-1,3-dioxolane
CID 11970498
8-Tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11313705
8-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023893
2'-Methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]
CID 11031099
7-Ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023903
2-[2-(Cyclohept-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 13215923
2-Methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980616
1-Acetylcyclohexene ethyleneacetal
CID 10678693
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
(8-Methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
CID 14377557

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 177018399) is 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene is CCCC1=C(C)CC2(CC1)OCCO2.
What is the InChIKey of 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is XZBYXGJYGQNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-11-5-6-12(9-10(11)2)13-7-8-14-12/h3-9H2,1-2H3.
What are the key properties of 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene?
7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 196.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-propyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 177018399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).