(9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate

C17H24O4 — CID 22889391

IUPAC(9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C)CC2CC1C1C3CC(C(O)C3O)C21
InChIInChI=1S/C17H24O4/c1-3-12(18)21-7-17(2)6-8-4-11(17)14-10-5-9(13(8)14)15(19)16(10)20/h3,8-11,13-16,19-20H,1,4-7H2,2H3
InChIKeyYUOKQMUEYSBRDY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds3

About (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate

(9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate (PubChem CID 22889391) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate
PubChem CID22889391
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1(C)CC2CC1C1C3CC(C(O)C3O)C21
InChIInChI=1S/C17H24O4/c1-3-12(18)21-7-17(2)6-8-4-11(17)14-10-5-9(13(8)14)15(19)16(10)20/h3,8-11,13-16,19-20H,1,4-7H2,2H3
InChIKeyYUOKQMUEYSBRDY-UHFFFAOYSA-N
XLogP1.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate?
The IUPAC name of (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate (CID 22889391) is (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate.
What is the SMILES notation for (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate?
The canonical SMILES for (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate is C=CC(=O)OCC1(C)CC2CC1C1C3CC(C(O)C3O)C21.
What is the InChIKey of (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate?
The InChIKey is YUOKQMUEYSBRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-12(18)21-7-17(2)6-8-4-11(17)14-10-5-9(13(8)14)15(19)16(10)20/h3,8-11,13-16,19-20H,1,4-7H2,2H3.
What are the key properties of (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate?
(9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9,10-dihydroxy-4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl prop-2-enoate is sourced from PubChem (CID 22889391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).