1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C15H26 — CID 134862650

IUPAC1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC1CCC(C2CCC3CCCCC32)CC1
InChIInChI=1S/C15H26/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15/h12-15H,1-11H2
InChIKeyQBGUDIWPZRUHPZ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.78
Rot. Bonds1

About 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 134862650) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID134862650
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESC1CCC(C2CCC3CCCCC32)CC1
InChIInChI=1S/C15H26/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15/h12-15H,1-11H2
InChIKeyQBGUDIWPZRUHPZ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

rel-(3aR,7aS)-Octahydro-1H-indene
CID 643587
Perhydrofluorene
CID 21972
Acenaphthylene, dodecahydro-
CID 102215
Hydrindane
CID 10325
trans-Hydrindane
CID 638055
(S,S)-hydrindane
CID 643588
1H-Indene, 1-cyclohexyloctahydro-1,3,3-trimethyl-
CID 90758
1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
CID 118537
4,7-Ethano-1H-indene, octahydro-
CID 142242
1-Hexadecyloctahydro-1H-indene
CID 294708
1-Methyloctahydro-1h-indene
CID 236403
dodecahydro-1H-benz[e]indene
CID 12729210

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 134862650) is 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is C1CCC(C2CCC3CCCCC32)CC1.
What is the InChIKey of 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is QBGUDIWPZRUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15/h12-15H,1-11H2.
What are the key properties of 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 206.37 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 134862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).