2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one

C18H28O3 — CID 123411871

IUPAC2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one
SMILESCC12CCCC1C1CCC3COC(=O)OCC3(C)C1CC2
InChIInChI=1S/C18H28O3/c1-17-8-3-4-14(17)13-6-5-12-10-20-16(19)21-11-18(12,2)15(13)7-9-17/h12-15H,3-11H2,1-2H3
InChIKeyMEYNXAJKRNFFJK-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.40
Rot. Bonds

About 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one

2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one (PubChem CID 123411871) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one.

Molecular Properties

Compound Name2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one
PubChem CID123411871
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one
SMILESCC12CCCC1C1CCC3COC(=O)OCC3(C)C1CC2
InChIInChI=1S/C18H28O3/c1-17-8-3-4-14(17)13-6-5-12-10-20-16(19)21-11-18(12,2)15(13)7-9-17/h12-15H,3-11H2,1-2H3
InChIKeyMEYNXAJKRNFFJK-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one 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

9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydro-1H-indeno[4,5-h]isochromen-7-one
CID 77279587
10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
CID 612154
(5R,8R,9R,10S,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 638018
(8S,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 154342396
(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452996
(5S,8R,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 124896388
(8S,9R,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 57064082
(8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;molecular hydrogen
CID 174862929
10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane;methane
CID 159071348
(5S,9S,14S)-3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 144770420
(3R,5S,8S,9S,10S,13S,14S)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 69245818
(1S,2S,8S,11S,12S,16S)-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecane
CID 22858129

Frequently Asked Questions

What is the IUPAC name of 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one?
The IUPAC name of 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one (CID 123411871) is 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one.
What is the SMILES notation for 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one?
The canonical SMILES for 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one is CC12CCCC1C1CCC3COC(=O)OCC3(C)C1CC2.
What is the InChIKey of 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one?
The InChIKey is MEYNXAJKRNFFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-17-8-3-4-14(17)13-6-5-12-10-20-16(19)21-11-18(12,2)15(13)7-9-17/h12-15H,3-11H2,1-2H3.
What are the key properties of 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one?
2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one has a molecular weight of 292.42 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-dimethyl-4,6-dioxatetracyclo[9.7.0.02,8.012,16]octadecan-5-one is sourced from PubChem (CID 123411871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).