(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene

C14H22 — CID 163698543

IUPAC(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene
SMILESCC1C[C@H]2CCCC=C2C=C[C@H](C)C1
InChIInChI=1S/C14H22/c1-11-7-8-13-5-3-4-6-14(13)10-12(2)9-11/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3/t11-,12?,14+/m0/s1
InChIKeyJYYZNWRMSLKORE-HFUMIRBISA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene

(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene (PubChem CID 163698543) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene.

Molecular Properties

Compound Name(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene
PubChem CID163698543
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene
SMILESCC1C[C@H]2CCCC=C2C=C[C@H](C)C1
InChIInChI=1S/C14H22/c1-11-7-8-13-5-3-4-6-14(13)10-12(2)9-11/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3/t11-,12?,14+/m0/s1
InChIKeyJYYZNWRMSLKORE-HFUMIRBISA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene 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

2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 141401221
6-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 19835402
4-methylbicyclo[4.2.0]oct-1-ene
CID 145440699
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
3-(3-methylcyclohexyl)cyclohex-2-en-1-one
CID 65172402
1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)ethanone
CID 130030853
2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propane-2-thiol
CID 164584810
2,2,3-trimethyl-3,4,4a,5,6,7-hexahydronaphthalene-1,1-diol
CID 175519437
1-cyclobutylcyclobutene
CID 556361
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
1-chloro-6-methylcyclohexene
CID 565192

Frequently Asked Questions

What is the IUPAC name of (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene?
The IUPAC name of (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene (CID 163698543) is (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene.
What is the SMILES notation for (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene?
The canonical SMILES for (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene is CC1C[C@H]2CCCC=C2C=C[C@H](C)C1.
What is the InChIKey of (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene?
The InChIKey is JYYZNWRMSLKORE-HFUMIRBISA-N. The full InChI is InChI=1S/C14H22/c1-11-7-8-13-5-3-4-6-14(13)10-12(2)9-11/h5,7-8,11-12,14H,3-4,6,9-10H2,1-2H3/t11-,12?,14+/m0/s1.
What are the key properties of (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene?
(7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10aR)-7,9-dimethyl-1,2,3,7,8,9,10,10a-octahydrobenzo[8]annulene is sourced from PubChem (CID 163698543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).