5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol

C15H22O4 — CID 14433060

IUPAC5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol
SMILESCC1(C)C(O)CCC23C(O)OC4OCC(=CCC12)C43
InChIInChI=1S/C15H22O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9-13,16-17H,4-7H2,1-2H3
InChIKeyINMDHOFDLKYMSO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds

About 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol

5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol (PubChem CID 14433060) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol.

Molecular Properties

Compound Name5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol
PubChem CID14433060
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol
SMILESCC1(C)C(O)CCC23C(O)OC4OCC(=CCC12)C43
InChIInChI=1S/C15H22O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9-13,16-17H,4-7H2,1-2H3
InChIKeyINMDHOFDLKYMSO-UHFFFAOYSA-N
XLogP1.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol?
The IUPAC name of 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol (CID 14433060) is 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol.
What is the SMILES notation for 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol?
The canonical SMILES for 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol is CC1(C)C(O)CCC23C(O)OC4OCC(=CCC12)C43.
What is the InChIKey of 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol?
The InChIKey is INMDHOFDLKYMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2)9-4-3-8-7-18-12-11(8)15(9,13(17)19-12)6-5-10(14)16/h3,9-13,16-17H,4-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol?
5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol has a molecular weight of 266.34 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-diol is sourced from PubChem (CID 14433060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).