(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene

C16H28 — CID 123960499

IUPAC(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
SMILESCC1C(C)C2C[C@H]3CCCC[C@H]3CC2C1C
InChIInChI=1S/C16H28/c1-10-11(2)15-8-13-6-4-5-7-14(13)9-16(15)12(10)3/h10-16H,4-9H2,1-3H3/t10?,11?,12?,13-,14+,15?,16?
InChIKeyIGVMOHFUJIKFMM-AUJHISINSA-N
MW220.40 g/mol
LogP4.74
Rot. Bonds

About (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene

(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene (PubChem CID 123960499) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
PubChem CID123960499
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
SMILESCC1C(C)C2C[C@H]3CCCC[C@H]3CC2C1C
InChIInChI=1S/C16H28/c1-10-11(2)15-8-13-6-4-5-7-14(13)9-16(15)12(10)3/h10-16H,4-9H2,1-3H3/t10?,11?,12?,13-,14+,15?,16?
InChIKeyIGVMOHFUJIKFMM-AUJHISINSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene 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

1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
CID 144530808
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
(2-methylcyclopropyl)cyclooctane
CID 19768877
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of (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) is (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene is CC1C(C)C2C[C@H]3CCCC[C@H]3CC2C1C.
What is the InChIKey of (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene?
The InChIKey is IGVMOHFUJIKFMM-AUJHISINSA-N. The full InChI is InChI=1S/C16H28/c1-10-11(2)15-8-13-6-4-5-7-14(13)9-16(15)12(10)3/h10-16H,4-9H2,1-3H3/t10?,11?,12?,13-,14+,15?,16?.
What are the key properties of (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene?
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene has a molecular weight of 220.40 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 123960499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).