(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene

C14H22O2 — CID 823581

IUPAC(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene
SMILESC/C=C/C1OCC2(CC=C(C)C[C@H]2C)CO1
InChIInChI=1S/C14H22O2/c1-4-5-13-15-9-14(10-16-13)7-6-11(2)8-12(14)3/h4-6,12-13H,7-10H2,1-3H3/b5-4+/t12-,13?,14?/m1/s1
InChIKeyVYOBDUXUSXZUEM-IAIPMJPWSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds1

About (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene

(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene (PubChem CID 823581) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene.

Molecular Properties

Compound Name(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene
PubChem CID823581
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene
SMILESC/C=C/C1OCC2(CC=C(C)C[C@H]2C)CO1
InChIInChI=1S/C14H22O2/c1-4-5-13-15-9-14(10-16-13)7-6-11(2)8-12(14)3/h4-6,12-13H,7-10H2,1-3H3/b5-4+/t12-,13?,14?/m1/s1
InChIKeyVYOBDUXUSXZUEM-IAIPMJPWSA-N
XLogP3.30
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 ≤ 53.30
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 (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene?
The IUPAC name of (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene (CID 823581) is (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene.
What is the SMILES notation for (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene?
The canonical SMILES for (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene is C/C=C/C1OCC2(CC=C(C)C[C@H]2C)CO1.
What is the InChIKey of (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene?
The InChIKey is VYOBDUXUSXZUEM-IAIPMJPWSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-13-15-9-14(10-16-13)7-6-11(2)8-12(14)3/h4-6,12-13H,7-10H2,1-3H3/b5-4+/t12-,13?,14?/m1/s1.
What are the key properties of (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene?
(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene has a molecular weight of 222.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene is sourced from PubChem (CID 823581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).