8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane

C14H22O2 — CID 567107

IUPAC8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCC1(CC=C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H22O2/c1-3-5-13(6-4-2)7-9-14(10-8-13)15-11-12-16-14/h3-4H,1-2,5-12H2
InChIKeyLRCQOLXOQFEYRY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds4

About 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane

8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 567107) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane
PubChem CID567107
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCC1(CC=C)CCC2(CC1)OCCO2
InChIInChI=1S/C14H22O2/c1-3-5-13(6-4-2)7-9-14(10-8-13)15-11-12-16-14/h3-4H,1-2,5-12H2
InChIKeyLRCQOLXOQFEYRY-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.44
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 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane (CID 567107) is 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane is C=CCC1(CC=C)CCC2(CC1)OCCO2.
What is the InChIKey of 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is LRCQOLXOQFEYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-5-13(6-4-2)7-9-14(10-8-13)15-11-12-16-14/h3-4H,1-2,5-12H2.
What are the key properties of 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane?
8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 222.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(prop-2-enyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 567107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).