8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one

C19H32O6 — CID 10338350

IUPAC8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one
SMILESCC1(C)CC(=O)C(O)C(C)(CCC2(C)OCCO2)CC2(C1)OCCO2
InChIInChI=1S/C19H32O6/c1-16(2)11-14(20)15(21)17(3,5-6-18(4)22-7-8-23-18)13-19(12-16)24-9-10-25-19/h15,21H,5-13H2,1-4H3
InChIKeyVBACHJJDJMJJAB-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.42
Rot. Bonds3

About 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one

8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one (PubChem CID 10338350) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one.

Molecular Properties

Compound Name8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one
PubChem CID10338350
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one
SMILESCC1(C)CC(=O)C(O)C(C)(CCC2(C)OCCO2)CC2(C1)OCCO2
InChIInChI=1S/C19H32O6/c1-16(2)11-14(20)15(21)17(3,5-6-18(4)22-7-8-23-18)13-19(12-16)24-9-10-25-19/h15,21H,5-13H2,1-4H3
InChIKeyVBACHJJDJMJJAB-UHFFFAOYSA-N
XLogP2.42
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one?
The IUPAC name of 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one (CID 10338350) is 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one.
What is the SMILES notation for 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one?
The canonical SMILES for 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one is CC1(C)CC(=O)C(O)C(C)(CCC2(C)OCCO2)CC2(C1)OCCO2.
What is the InChIKey of 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one?
The InChIKey is VBACHJJDJMJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-16(2)11-14(20)15(21)17(3,5-6-18(4)22-7-8-23-18)13-19(12-16)24-9-10-25-19/h15,21H,5-13H2,1-4H3.
What are the key properties of 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one?
8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one has a molecular weight of 356.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one is sourced from PubChem (CID 10338350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).