(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate

C18H24O5 — CID 54353318

IUPAC(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate
SMILESCC(=O)Oc1c(C)c(C)c2c(c1C)CC(C)C(C)(OC(C)=O)O2
InChIInChI=1S/C18H24O5/c1-9-8-15-12(4)16(21-13(5)19)10(2)11(3)17(15)23-18(9,7)22-14(6)20/h9H,8H2,1-7H3
InChIKeyUHHZGKTYAPADDU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.39
Rot. Bonds2

About (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate

(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate (PubChem CID 54353318) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate
PubChem CID54353318
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate
SMILESCC(=O)Oc1c(C)c(C)c2c(c1C)CC(C)C(C)(OC(C)=O)O2
InChIInChI=1S/C18H24O5/c1-9-8-15-12(4)16(21-13(5)19)10(2)11(3)17(15)23-18(9,7)22-14(6)20/h9H,8H2,1-7H3
InChIKeyUHHZGKTYAPADDU-UHFFFAOYSA-N
XLogP3.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate?
The IUPAC name of (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate (CID 54353318) is (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate.
What is the SMILES notation for (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate?
The canonical SMILES for (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate is CC(=O)Oc1c(C)c(C)c2c(c1C)CC(C)C(C)(OC(C)=O)O2.
What is the InChIKey of (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate?
The InChIKey is UHHZGKTYAPADDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-9-8-15-12(4)16(21-13(5)19)10(2)11(3)17(15)23-18(9,7)22-14(6)20/h9H,8H2,1-7H3.
What are the key properties of (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate?
(2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate has a molecular weight of 320.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-2,3,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl) acetate is sourced from PubChem (CID 54353318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).