4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid

C18H30O3 — CID 21351625

IUPAC4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid
SMILESCCC1CC(CC)C2C3CC(CC3CC(O)CC(=O)O)C12
InChIInChI=1S/C18H30O3/c1-3-10-5-11(4-2)18-15-8-13(17(10)18)6-12(15)7-14(19)9-16(20)21/h10-15,17-19H,3-9H2,1-2H3,(H,20,21)
InChIKeyATMVRSUEAIMNRW-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.56
Rot. Bonds6

About 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid

4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid (PubChem CID 21351625) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid
PubChem CID21351625
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid
SMILESCCC1CC(CC)C2C3CC(CC3CC(O)CC(=O)O)C12
InChIInChI=1S/C18H30O3/c1-3-10-5-11(4-2)18-15-8-13(17(10)18)6-12(15)7-14(19)9-16(20)21/h10-15,17-19H,3-9H2,1-2H3,(H,20,21)
InChIKeyATMVRSUEAIMNRW-UHFFFAOYSA-N
XLogP3.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid (CID 21351625) is 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid is CCC1CC(CC)C2C3CC(CC3CC(O)CC(=O)O)C12.
What is the InChIKey of 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid?
The InChIKey is ATMVRSUEAIMNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-3-10-5-11(4-2)18-15-8-13(17(10)18)6-12(15)7-14(19)9-16(20)21/h10-15,17-19H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid?
4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid has a molecular weight of 294.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-hydroxybutanoic acid is sourced from PubChem (CID 21351625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).