(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene

C12H16O — CID 135043135

IUPAC(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
SMILESC=C1C(C)=C[C@@]23CCC[C@@H]2C[C@@H]1O3
InChIInChI=1S/C12H16O/c1-8-7-12-5-3-4-10(12)6-11(13-12)9(8)2/h7,10-11H,2-6H2,1H3/t10-,11+,12+/m1/s1
InChIKeyPJBDYIZFAKOHEF-WOPDTQHZSA-N
MW176.26 g/mol
LogP2.83
Rot. Bonds

About (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene

(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene (PubChem CID 135043135) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene.

Molecular Properties

Compound Name(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
PubChem CID135043135
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
SMILESC=C1C(C)=C[C@@]23CCC[C@@H]2C[C@@H]1O3
InChIInChI=1S/C12H16O/c1-8-7-12-5-3-4-10(12)6-11(13-12)9(8)2/h7,10-11H,2-6H2,1H3/t10-,11+,12+/m1/s1
InChIKeyPJBDYIZFAKOHEF-WOPDTQHZSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-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

(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
CID 15227484
CID 135009286
CID 135009286
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135009287
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-ylideneplatinum
CID 135009436
(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135043220
(1S,3R,4S,7S,12R)-3,10-bis(ethenyl)-8-oxatricyclo[5.4.1.04,12]dodeca-5,10-diene
CID 155929907
6,11-Epoxyguaia-4,9-diene
CID 91747443
8-Methyl-10-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-10,13-diene
CID 138514514
6a-(Cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 141083507
6a-Hex-1-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 141083523
(2Z,3Z,4S)-2-butan-2-ylidene-3-ethylidene-4-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan;ethane
CID 141809000
4'-Ethyl-2,2,6-trimethyl-3'-propylspiro[1,5-dihydroazulene-3,2'-oxolane];octane
CID 143203342

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene?
The IUPAC name of (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene (CID 135043135) is (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene.
What is the SMILES notation for (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene?
The canonical SMILES for (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene is C=C1C(C)=C[C@@]23CCC[C@@H]2C[C@@H]1O3.
What is the InChIKey of (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene?
The InChIKey is PJBDYIZFAKOHEF-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H16O/c1-8-7-12-5-3-4-10(12)6-11(13-12)9(8)2/h7,10-11H,2-6H2,1H3/t10-,11+,12+/m1/s1.
What are the key properties of (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene?
(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene has a molecular weight of 176.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene is sourced from PubChem (CID 135043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).