(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene

C14H20O — CID 16724110

IUPAC(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
SMILESC[C@]12C[C@@]34C=CCC[C@]3(C)[C@H](C[C@H]1C4)O2
InChIInChI=1S/C14H20O/c1-12-5-3-4-6-14(12)8-10-7-11(12)15-13(10,2)9-14/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11-,12+,13-,14-/m0/s1
InChIKeySYSOABHUABXZPY-HPCHECBXSA-N
MW204.31 g/mol
LogP3.30
Rot. Bonds

About (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene

(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene (PubChem CID 16724110) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene.

Molecular Properties

Compound Name(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
PubChem CID16724110
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
SMILESC[C@]12C[C@@]34C=CCC[C@]3(C)[C@H](C[C@H]1C4)O2
InChIInChI=1S/C14H20O/c1-12-5-3-4-6-14(12)8-10-7-11(12)15-13(10,2)9-14/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11-,12+,13-,14-/m0/s1
InChIKeySYSOABHUABXZPY-HPCHECBXSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene 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

1,7,9-Trimethyl-12-oxatetracyclo[6.3.1.02,7.04,9]dodec-5-ene
CID 154110028
6,9-Dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 73311104
3,8-Dimethyl-7-oxatetracyclo[6.2.1.16,9.01,5]dodec-2-ene
CID 74944093
9-Methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 102191873
9-Methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol
CID 134840070
(1S,4S)-9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol
CID 134940319
(1S)-9-methyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene
CID 134940323
(5aR,9aS,9bS)-6-ethenyl-5a-fluoro-3a,6,7-trimethylspiro[2,4,5,9,9a,9b-hexahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]
CID 59853523
8-Methyl-9-oxatetracyclo[5.4.0.03,10.04,8]undec-5-ene
CID 23258446
potassium (5aR,9aS,9bS)-6-ethenyl-5a-fluoro-7-methanidyl-3a,6-dimethylspiro[2,4,5,9,9a,9b-hexahydro-1H-cyclopenta[a]naphthalene-3,2'-oxolane]
CID 59853522
(1S)-1-[(8S)-3,8-dimethyl-5-[(Z)-prop-1-enyl]-2-oxatricyclo[3.3.1.03,7]nonan-9-yl]ethanol
CID 70963910
(5S,13S)-5,9,13-trimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-4-ol
CID 70964022

Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The IUPAC name of (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene (CID 16724110) is (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene.
What is the SMILES notation for (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The canonical SMILES for (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene is C[C@]12C[C@@]34C=CCC[C@]3(C)[C@H](C[C@H]1C4)O2.
What is the InChIKey of (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
The InChIKey is SYSOABHUABXZPY-HPCHECBXSA-N. The full InChI is InChI=1S/C14H20O/c1-12-5-3-4-6-14(12)8-10-7-11(12)15-13(10,2)9-14/h4,6,10-11H,3,5,7-9H2,1-2H3/t10-,11-,12+,13-,14-/m0/s1.
What are the key properties of (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene?
(1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene has a molecular weight of 204.31 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,9S,10R)-6,9-dimethyl-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-ene is sourced from PubChem (CID 16724110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).