3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione

C32H34O4 — CID 2755579

IUPAC3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione
SMILESCC1(C)c2ccccc2C(C)(C)c2c1oc(=O)c1c3c(oc(=O)c21)C(C)(C)C1C=CC=CC1C3(C)C
InChIInChI=1S/C32H34O4/c1-29(2)17-13-9-11-15-19(17)31(5,6)25-23(29)21-22(28(34)35-25)24-26(36-27(21)33)32(7,8)20-16-12-10-14-18(20)30(24,3)4/h9-17,19H,1-8H3
InChIKeyFNXJLMINFPJOIP-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.64
Rot. Bonds

About 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione

3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione (PubChem CID 2755579) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione.

Molecular Properties

Compound Name3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione
PubChem CID2755579
Molecular FormulaC32H34O4
Molecular Weight482.62 g/mol
Exact Mass482.25
IUPAC Name3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione
SMILESCC1(C)c2ccccc2C(C)(C)c2c1oc(=O)c1c3c(oc(=O)c21)C(C)(C)C1C=CC=CC1C3(C)C
InChIInChI=1S/C32H34O4/c1-29(2)17-13-9-11-15-19(17)31(5,6)25-23(29)21-22(28(34)35-25)24-26(36-27(21)33)32(7,8)20-16-12-10-14-18(20)30(24,3)4/h9-17,19H,1-8H3
InChIKeyFNXJLMINFPJOIP-UHFFFAOYSA-N
XLogP6.64
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione?
The IUPAC name of 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione (CID 2755579) is 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione.
What is the SMILES notation for 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione?
The canonical SMILES for 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione is CC1(C)c2ccccc2C(C)(C)c2c1oc(=O)c1c3c(oc(=O)c21)C(C)(C)C1C=CC=CC1C3(C)C.
What is the InChIKey of 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione?
The InChIKey is FNXJLMINFPJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4/c1-29(2)17-13-9-11-15-19(17)31(5,6)25-23(29)21-22(28(34)35-25)24-26(36-27(21)33)32(7,8)20-16-12-10-14-18(20)30(24,3)4/h9-17,19H,1-8H3.
What are the key properties of 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione?
3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione has a molecular weight of 482.62 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10,10,16,16,23,23-octamethyl-12,25-dioxahexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2(11),4,6,8,15(24),18,20-octaene-13,26-dione is sourced from PubChem (CID 2755579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).