2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene

C15H22 — CID 123436446

IUPAC2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2CC(C3CCCCC3)CC2C=C1
InChIInChI=1S/C15H22/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h4-5,8-9,12-15H,1-3,6-7,10-11H2
InChIKeyHDRFDLSCKKGGBF-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds1

About 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene

2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 123436446) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID123436446
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2CC(C3CCCCC3)CC2C=C1
InChIInChI=1S/C15H22/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h4-5,8-9,12-15H,1-3,6-7,10-11H2
InChIKeyHDRFDLSCKKGGBF-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene 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

tetracyclo[7.7.1.02,7.010,15]heptadeca-3,5,11,13-tetraene
CID 59047597
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
benzene;cyclohexylcyclohexane
CID 160520949
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bicyclo[2.2.1]heptane;cycloheptane;methane
CID 142046247
2,3,3a,7a-tetrahydro-1H-indene
CID 12652500

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene (CID 123436446) is 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene is C1=CC2CC(C3CCCCC3)CC2C=C1.
What is the InChIKey of 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is HDRFDLSCKKGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h4-5,8-9,12-15H,1-3,6-7,10-11H2.
What are the key properties of 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene?
2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 202.34 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 123436446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).