3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene

C26H36 — CID 90832524

IUPAC3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
SMILESCC1CC2C3CCCCC3CCC2C1C(C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C26H36/c1-17-16-23-20-10-6-4-8-18(20)12-14-22(23)25(17)26(2,3)24-15-13-19-9-5-7-11-21(19)24/h5,7,9,11,13,15,17-18,20,22-25H,4,6,8,10,12,14,16H2,1-3H3
InChIKeyYNIHAVXVCOXJBN-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.31
Rot. Bonds2

About 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene

3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene (PubChem CID 90832524) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
PubChem CID90832524
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
SMILESCC1CC2C3CCCCC3CCC2C1C(C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C26H36/c1-17-16-23-20-10-6-4-8-18(20)12-14-22(23)25(17)26(2,3)24-15-13-19-9-5-7-11-21(19)24/h5,7,9,11,13,15,17-18,20,22-25H,4,6,8,10,12,14,16H2,1-3H3
InChIKeyYNIHAVXVCOXJBN-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene (CID 90832524) is 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene is CC1CC2C3CCCCC3CCC2C1C(C)(C)C1C=Cc2ccccc21.
What is the InChIKey of 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is YNIHAVXVCOXJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-17-16-23-20-10-6-4-8-18(20)12-14-22(23)25(17)26(2,3)24-15-13-19-9-5-7-11-21(19)24/h5,7,9,11,13,15,17-18,20,22-25H,4,6,8,10,12,14,16H2,1-3H3.
What are the key properties of 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene?
3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 348.57 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 90832524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).