7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane

C13H22O2 — CID 10632273

IUPAC7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCCC1(C)CCCC2(C1)OCCO2
InChIInChI=1S/C13H22O2/c1-3-4-6-12(2)7-5-8-13(11-12)14-9-10-15-13/h3H,1,4-11H2,2H3
InChIKeyGCTUIEJDTHLGID-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane

7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 10632273) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID10632273
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCCC1(C)CCCC2(C1)OCCO2
InChIInChI=1S/C13H22O2/c1-3-4-6-12(2)7-5-8-13(11-12)14-9-10-15-13/h3H,1,4-11H2,2H3
InChIKeyGCTUIEJDTHLGID-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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

7-Methyl-7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11672931
6-(Prop-2-en-1-yl)-1,4-dioxaspiro[4.5]decane
CID 265136
1,4-Dioxa-dispiro[4.1.5.3]pentadec-8-ene
CID 66936799
9-Ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
CID 71763484
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
1,5-Dimethyl-7-methylidenespiro[bicyclo[3.3.1]-nonane-3,2'-[1,3]dioxolane]
CID 129757109
1-But-3-enyl-4,4-diethyl-2,6-dioxabicyclo[3.1.0]hexane
CID 134837899
carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium
CID 134847077
2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane
CID 134860311
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)but-2-en-1-ol
CID 162407266
9-But-3-enyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 317034

Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane (CID 10632273) is 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane is C=CCCC1(C)CCCC2(C1)OCCO2.
What is the InChIKey of 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is GCTUIEJDTHLGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-6-12(2)7-5-8-13(11-12)14-9-10-15-13/h3H,1,4-11H2,2H3.
What are the key properties of 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane?
7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10632273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).