(4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate

C14H22O2 — CID 163426149

IUPAC(4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate
SMILESCCC(=O)OC1(C)C2CC(C)CC3(C2)CC31
InChIInChI=1S/C14H22O2/c1-4-12(15)16-13(3)10-5-9(2)6-14(7-10)8-11(13)14/h9-11H,4-8H2,1-3H3
InChIKeyAMRQFIDBZNPNBC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds2

About (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate

(4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate (PubChem CID 163426149) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate.

Molecular Properties

Compound Name(4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate
PubChem CID163426149
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate
SMILESCCC(=O)OC1(C)C2CC(C)CC3(C2)CC31
InChIInChI=1S/C14H22O2/c1-4-12(15)16-13(3)10-5-9(2)6-14(7-10)8-11(13)14/h9-11H,4-8H2,1-3H3
InChIKeyAMRQFIDBZNPNBC-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate 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

(9-Ethyl-9-tricyclo[4.3.1.03,8]decanyl) 2,2-dimethylbutanoate
CID 23562007
CID 60091273
CID 60091273
[(1S,3R)-5,8-dimethyl-8-tricyclo[3.2.1.01,3]octanyl] 2-methylpropanoate
CID 60091274
(5-Methyl-5-pentacyclo[7.3.1.02,4.02,7.06,11]tridecanyl) acetate
CID 68247444
[2,3-Dimethyl-3-(4-tricyclo[3.3.1.01,3]nonanyl)butan-2-yl] acetate
CID 71130187
[(4R,7S,8S,10S)-5,5,10-trimethyl-8-tetracyclo[6.4.0.02,10.04,7]dodecanyl] acetate
CID 90336149
(6-Ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-2,4,4-trimethylpentanoate
CID 90934030
(2,6,6,8-Tetramethyl-8-tricyclo[5.3.1.01,7]undecanyl) acetate
CID 122505784
(6-Ethyl-7-methyl-6-tricyclo[3.3.1.01,3]nonanyl) 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 123340899
(6,7-Dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-ethyl-4-methylpentanoate
CID 123413452
(6,7-Dimethyl-6-tricyclo[3.3.1.01,3]nonanyl) 2-tert-butyl-4-methylpentanoate
CID 123946106
(2,2,3-Trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate
CID 137445952

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate?
The IUPAC name of (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate (CID 163426149) is (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate.
What is the SMILES notation for (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate?
The canonical SMILES for (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate is CCC(=O)OC1(C)C2CC(C)CC3(C2)CC31.
What is the InChIKey of (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate?
The InChIKey is AMRQFIDBZNPNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-12(15)16-13(3)10-5-9(2)6-14(7-10)8-11(13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate?
(4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate has a molecular weight of 222.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethyl-4-tricyclo[3.3.1.01,3]nonanyl) propanoate is sourced from PubChem (CID 163426149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).