propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate

C19H32O3 — CID 143448489

IUPACpropane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate
SMILESCC(=O)OC(C)OC1CC2CC1C1C3CCC(C3)C21.CCC
InChIInChI=1S/C16H24O3.C3H8/c1-8(17)18-9(2)19-14-7-12-6-13(14)16-11-4-3-10(5-11)15(12)16;1-3-2/h9-16H,3-7H2,1-2H3;3H2,1-2H3
InChIKeyFECVETNUKPGESO-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.40
Rot. Bonds3

About propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate

propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate (PubChem CID 143448489) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate.

Molecular Properties

Compound Namepropane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate
PubChem CID143448489
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Namepropane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate
SMILESCC(=O)OC(C)OC1CC2CC1C1C3CCC(C3)C21.CCC
InChIInChI=1S/C16H24O3.C3H8/c1-8(17)18-9(2)19-14-7-12-6-13(14)16-11-4-3-10(5-11)15(12)16;1-3-2/h9-16H,3-7H2,1-2H3;3H2,1-2H3
InChIKeyFECVETNUKPGESO-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(8S)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]oxy]ethyl 4,4-dimethyl-2-propan-2-ylpentanoate
CID 163771828
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;methane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2,2-dimethylbutanoate
CID 159204487
1-(5-tetracyclo[7.2.1.13,6.02,7]tridecanyloxy)ethyl 2-methylprop-2-enoate
CID 123549392
1-(1-adamantyloxy)ethyl 2,2-dimethylbutanoate;2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate;ethane;methane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2,2-dimethylbutanoate
CID 162159317
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoroacetate
CID 58225942
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
CID 67964667
1-(2-adamantyloxy)ethyl 2,2-dimethylbutanoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2,2-dimethylbutanoate;methane;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2,2-dimethylbutanoate
CID 162238096
2-(1-adamantyl)butan-2-yl 2,2-dimethylbutanoate;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;methane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2,2-dimethylbutanoate
CID 161234079
4-[1-(1-tricyclo[3.3.0.03,7]octanyl)ethoxy]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 146891115
2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;methane;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2,2-dimethylbutanoate
CID 159267701
3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
CID 54219643
methyl acetate;1-O-methyl 5-O-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 4-ethyl-2-methylpentanedioate;4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 160990114

Frequently Asked Questions

What is the IUPAC name of propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate?
The IUPAC name of propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate (CID 143448489) is propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate.
What is the SMILES notation for propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate?
The canonical SMILES for propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate is CC(=O)OC(C)OC1CC2CC1C1C3CCC(C3)C21.CCC.
What is the InChIKey of propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate?
The InChIKey is FECVETNUKPGESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3.C3H8/c1-8(17)18-9(2)19-14-7-12-6-13(14)16-11-4-3-10(5-11)15(12)16;1-3-2/h9-16H,3-7H2,1-2H3;3H2,1-2H3.
What are the key properties of propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate?
propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate has a molecular weight of 308.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate is sourced from PubChem (CID 143448489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).