1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene

C15H26 — CID 59883784

IUPAC1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
SMILESCC1C(C)C2CC3CCCC3CC2C1C
InChIInChI=1S/C15H26/c1-9-10(2)14-7-12-5-4-6-13(12)8-15(14)11(9)3/h9-15H,4-8H2,1-3H3
InChIKeyKGXGPQFTNLJDMG-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.35
Rot. Bonds

About 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene

1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene (PubChem CID 59883784) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene.

Molecular Properties

Compound Name1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
PubChem CID59883784
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
SMILESCC1C(C)C2CC3CCCC3CC2C1C
InChIInChI=1S/C15H26/c1-9-10(2)14-7-12-5-4-6-13(12)8-15(14)11(9)3/h9-15H,4-8H2,1-3H3
InChIKeyKGXGPQFTNLJDMG-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene 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

(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
10-methyltetracyclo[7.3.1.02,7.06,11]tridecane
CID 59760764
tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)
CID 140621616
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
tricyclo[4.3.1.12,5]undecane
CID 13070377
1,5-di(cyclooctyl)-3-methylcyclooctane
CID 123162765

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
The IUPAC name of 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene (CID 59883784) is 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene.
What is the SMILES notation for 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
The canonical SMILES for 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene is CC1C(C)C2CC3CCCC3CC2C1C.
What is the InChIKey of 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
The InChIKey is KGXGPQFTNLJDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-9-10(2)14-7-12-5-4-6-13(12)8-15(14)11(9)3/h9-15H,4-8H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene?
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene has a molecular weight of 206.37 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene is sourced from PubChem (CID 59883784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).