1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol

C19H32O3 — CID 10063899

IUPAC1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol
SMILESCC1=CCC(O)C(C)(C)C12CCC1(CC2)OCC(C)(C)CO1
InChIInChI=1S/C19H32O3/c1-14-6-7-15(20)17(4,5)18(14)8-10-19(11-9-18)21-12-16(2,3)13-22-19/h6,15,20H,7-13H2,1-5H3
InChIKeyPFASEYUZNJENDK-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.05
Rot. Bonds

About 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol

1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol (PubChem CID 10063899) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol.

Molecular Properties

Compound Name1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol
PubChem CID10063899
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol
SMILESCC1=CCC(O)C(C)(C)C12CCC1(CC2)OCC(C)(C)CO1
InChIInChI=1S/C19H32O3/c1-14-6-7-15(20)17(4,5)18(14)8-10-19(11-9-18)21-12-16(2,3)13-22-19/h6,15,20H,7-13H2,1-5H3
InChIKeyPFASEYUZNJENDK-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol?
The IUPAC name of 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol (CID 10063899) is 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol.
What is the SMILES notation for 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol?
The canonical SMILES for 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol is CC1=CCC(O)C(C)(C)C12CCC1(CC2)OCC(C)(C)CO1.
What is the InChIKey of 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol?
The InChIKey is PFASEYUZNJENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-14-6-7-15(20)17(4,5)18(14)8-10-19(11-9-18)21-12-16(2,3)13-22-19/h6,15,20H,7-13H2,1-5H3.
What are the key properties of 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol?
1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol has a molecular weight of 308.46 g/mol, XLogP of 4.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,12,12-pentamethyl-10,14-dioxadispiro[5.2.59.26]hexadec-1-en-4-ol is sourced from PubChem (CID 10063899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).