(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate

C15H24O3 — CID 20736113

IUPAC(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate
SMILESCCC1(OC(C)=O)CCC2C3CC(CC3O)C2C1
InChIInChI=1S/C15H24O3/c1-3-15(18-9(2)16)5-4-11-12-6-10(7-14(12)17)13(11)8-15/h10-14,17H,3-8H2,1-2H3
InChIKeyMWVIVQDXUVDUIR-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.52
Rot. Bonds2

About (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate

(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate (PubChem CID 20736113) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate.

Molecular Properties

Compound Name(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate
PubChem CID20736113
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate
SMILESCCC1(OC(C)=O)CCC2C3CC(CC3O)C2C1
InChIInChI=1S/C15H24O3/c1-3-15(18-9(2)16)5-4-11-12-6-10(7-14(12)17)13(11)8-15/h10-14,17H,3-8H2,1-2H3
InChIKeyMWVIVQDXUVDUIR-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172715167
(8-hydroxy-4-methyl-4-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
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[1-(aminomethyl)-4-ethylcyclohexyl] acetate
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(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
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(1R,2S,6S,7R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 21118867
[(3S,5S,8S,9S,10S,13S,14S)-3-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 167490487
(1,4-diethylcyclohexyl) 2-methylprop-2-enoate
CID 58844030
(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
CID 68741110
(3-ethyl-1-methylsulfonylazetidin-3-yl) acetate
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(1-cyclobutylcyclopentyl) acetate
CID 177097462
(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
CID 124536655
(4-ethyl-2-oxooxan-4-yl) acetate
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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate?
The IUPAC name of (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate (CID 20736113) is (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate.
What is the SMILES notation for (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate?
The canonical SMILES for (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate is CCC1(OC(C)=O)CCC2C3CC(CC3O)C2C1.
What is the InChIKey of (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate?
The InChIKey is MWVIVQDXUVDUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-15(18-9(2)16)5-4-11-12-6-10(7-14(12)17)13(11)8-15/h10-14,17H,3-8H2,1-2H3.
What are the key properties of (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate?
(4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate has a molecular weight of 252.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-9-hydroxy-4-tricyclo[6.2.1.02,7]undecanyl) acetate is sourced from PubChem (CID 20736113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).