5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol

C20H34O3 — CID 45028614

IUPAC5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol
SMILESCC1(O)CCC2CC3OC3(C)CCC3OC3(C)CCC1C2(C)C
InChIInChI=1S/C20H34O3/c1-17(2)13-6-9-18(3,21)14(17)7-10-19(4)15(22-19)8-11-20(5)16(12-13)23-20/h13-16,21H,6-12H2,1-5H3
InChIKeyQAKDMKNAZDPAHI-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.07
Rot. Bonds

About 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol

5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol (PubChem CID 45028614) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol.

Molecular Properties

Compound Name5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol
PubChem CID45028614
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol
SMILESCC1(O)CCC2CC3OC3(C)CCC3OC3(C)CCC1C2(C)C
InChIInChI=1S/C20H34O3/c1-17(2)13-6-9-18(3,21)14(17)7-10-19(4)15(22-19)8-11-20(5)16(12-13)23-20/h13-16,21H,6-12H2,1-5H3
InChIKeyQAKDMKNAZDPAHI-UHFFFAOYSA-N
XLogP4.07
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol?
The IUPAC name of 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol (CID 45028614) is 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol.
What is the SMILES notation for 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol?
The canonical SMILES for 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol is CC1(O)CCC2CC3OC3(C)CCC3OC3(C)CCC1C2(C)C.
What is the InChIKey of 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol?
The InChIKey is QAKDMKNAZDPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-17(2)13-6-9-18(3,21)14(17)7-10-19(4)15(22-19)8-11-20(5)16(12-13)23-20/h13-16,21H,6-12H2,1-5H3.
What are the key properties of 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol?
5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol has a molecular weight of 322.49 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,14,17,17-pentamethyl-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-14-ol is sourced from PubChem (CID 45028614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).