(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene

C14H22O2 — CID 135036827

IUPAC(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene
SMILESCC1=CCC[C@@H](C)[C@]12CCCC21OCCO1
InChIInChI=1S/C14H22O2/c1-11-5-3-6-12(2)13(11)7-4-8-14(13)15-9-10-16-14/h5,12H,3-4,6-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyRGWGMRXBKKHSGO-OLZOCXBDSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds

About (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene

(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene (PubChem CID 135036827) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene.

Molecular Properties

Compound Name(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene
PubChem CID135036827
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene
SMILESCC1=CCC[C@@H](C)[C@]12CCCC21OCCO1
InChIInChI=1S/C14H22O2/c1-11-5-3-6-12(2)13(11)7-4-8-14(13)15-9-10-16-14/h5,12H,3-4,6-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyRGWGMRXBKKHSGO-OLZOCXBDSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene?
The IUPAC name of (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene (CID 135036827) is (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene.
What is the SMILES notation for (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene?
The canonical SMILES for (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene is CC1=CCC[C@@H](C)[C@]12CCCC21OCCO1.
What is the InChIKey of (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene?
The InChIKey is RGWGMRXBKKHSGO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H22O2/c1-11-5-3-6-12(2)13(11)7-4-8-14(13)15-9-10-16-14/h5,12H,3-4,6-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene?
(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene has a molecular weight of 222.33 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene is sourced from PubChem (CID 135036827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).