6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane

C14H22O2 — CID 123865687

IUPAC6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane
SMILESC1=CCC(C2CCCCC23OCCO3)CC1
InChIInChI=1S/C14H22O2/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-10-11-16-14/h1-2,12-13H,3-11H2
InChIKeyKPZFCTLQYRKFPH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds1

About 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane

6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 123865687) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane
PubChem CID123865687
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane
SMILESC1=CCC(C2CCCCC23OCCO3)CC1
InChIInChI=1S/C14H22O2/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-10-11-16-14/h1-2,12-13H,3-11H2
InChIKeyKPZFCTLQYRKFPH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
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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Frequently Asked Questions

What is the IUPAC name of 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane (CID 123865687) is 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane is C1=CCC(C2CCCCC23OCCO3)CC1.
What is the InChIKey of 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is KPZFCTLQYRKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)15-10-11-16-14/h1-2,12-13H,3-11H2.
What are the key properties of 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane?
6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 222.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 123865687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).