(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene

C18H22O — CID 98162500

IUPAC(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
SMILESCc1ccc(C)c2c1CC[C@@]13CC=CC[C@]21COC3
InChIInChI=1S/C18H22O/c1-13-5-6-14(2)16-15(13)7-10-17-8-3-4-9-18(16,17)12-19-11-17/h3-6H,7-12H2,1-2H3/t17-,18+/m1/s1
InChIKeyJKFOXPBVTPANDP-MSOLQXFVSA-N
MW254.37 g/mol
LogP3.85
Rot. Bonds

About (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene

(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene (PubChem CID 98162500) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene.

Molecular Properties

Compound Name(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
PubChem CID98162500
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
SMILESCc1ccc(C)c2c1CC[C@@]13CC=CC[C@]21COC3
InChIInChI=1S/C18H22O/c1-13-5-6-14(2)16-15(13)7-10-17-8-3-4-9-18(16,17)12-19-11-17/h3-6H,7-12H2,1-2H3/t17-,18+/m1/s1
InChIKeyJKFOXPBVTPANDP-MSOLQXFVSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene 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

4,7-dimethylspiro[1,2-dihydroindene-3,4'-oxane];ethane;methane
CID 144594027
bromomethane;4,7-dimethylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 91179603
4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 123186301
14-methyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene
CID 56694868
2,2-difluoro-5,8-dimethyl-3,4-dihydrochromene
CID 143987826
3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
CID 177102559
4-methoxy-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]
CID 144594164
7-iodo-4-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 129143924
(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-en-7-one
CID 10773668
(4'-acetyloxy-7,7'-dimethyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) acetate
CID 58636069
5,8-dimethyl-1,4-dihydronaphthalene
CID 15646930
7-methylspiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618324

Frequently Asked Questions

What is the IUPAC name of (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
The IUPAC name of (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene (CID 98162500) is (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene.
What is the SMILES notation for (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
The canonical SMILES for (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene is Cc1ccc(C)c2c1CC[C@@]13CC=CC[C@]21COC3.
What is the InChIKey of (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
The InChIKey is JKFOXPBVTPANDP-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H22O/c1-13-5-6-14(2)16-15(13)7-10-17-8-3-4-9-18(16,17)12-19-11-17/h3-6H,7-12H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene?
(1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene has a molecular weight of 254.37 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-3,6-dimethyl-16-oxatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,12-tetraene is sourced from PubChem (CID 98162500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).