(5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate

C18H30O4 — CID 163609596

IUPAC(5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate
SMILESCC1(O)CC2(O)CC3CC(OC(=O)C(C)(C)C(C)(C)C)(C1)C32
InChIInChI=1S/C18H30O4/c1-14(2,3)15(4,5)13(19)22-18-8-11-7-17(21,12(11)18)9-16(6,20)10-18/h11-12,20-21H,7-10H2,1-6H3
InChIKeyHETHBEWKDGBURR-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.66
Rot. Bonds2

About (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate

(5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate (PubChem CID 163609596) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Name(5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate
PubChem CID163609596
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name(5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate
SMILESCC1(O)CC2(O)CC3CC(OC(=O)C(C)(C)C(C)(C)C)(C1)C32
InChIInChI=1S/C18H30O4/c1-14(2,3)15(4,5)13(19)22-18-8-11-7-17(21,12(11)18)9-16(6,20)10-18/h11-12,20-21H,7-10H2,1-6H3
InChIKeyHETHBEWKDGBURR-UHFFFAOYSA-N
XLogP2.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate with MolForge

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Related Compounds

(7-hydroxy-5,7-dimethyl-1-tricyclo[3.3.1.03,9]nonanyl) acetate
CID 147768354
5,7-dimethyltricyclo[3.3.1.03,9]nonane-1,7-diol
CID 163628233
[5,7-bis(1-ethoxyethoxy)-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl] 2,2-dimethylpropanoate
CID 163940958
(1,5-dihydroxy-2-adamantyl) 2,2,3,3-tetramethylbutanoate
CID 163671710
[7-(hydroxymethyl)-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl] 2-tert-butyl-2,3,3-trimethylbutanoate
CID 123290023
(3-hydroxy-3-methylcyclobutyl) 2,2-dimethylpropanoate
CID 118138159
[3-(trifluoromethylsulfonylcarbamoyl)-1-adamantyl] 2,2,3,3-tetramethylbutanoate
CID 154963948
[(7R)-3-hydroxy-1-adamantyl] 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 71187774
(3-hydroxy-1-adamantyl) 2,3-dimethyl-2-propan-2-ylbutanoate
CID 134214124
phosphanyl 2,2,3,3-tetramethylbutanoate
CID 141485213
(3-hydroxy-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl) 2,2-dimethylbutanoate
CID 144690921
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901

Frequently Asked Questions

What is the IUPAC name of (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate?
The IUPAC name of (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate (CID 163609596) is (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate is CC1(O)CC2(O)CC3CC(OC(=O)C(C)(C)C(C)(C)C)(C1)C32.
What is the InChIKey of (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate?
The InChIKey is HETHBEWKDGBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-14(2,3)15(4,5)13(19)22-18-8-11-7-17(21,12(11)18)9-16(6,20)10-18/h11-12,20-21H,7-10H2,1-6H3.
What are the key properties of (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate?
(5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate has a molecular weight of 310.43 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dihydroxy-7-methyl-1-tricyclo[3.3.1.03,9]nonanyl) 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 163609596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).