cyclohexylcyclohexane

C12H21+ — CID 155930048

IUPACcyclohexylcyclohexane
SMILESC1CC[C+](C2CCCCC2)CC1
InChIInChI=1S/C12H21/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2/q+1
InChIKeyLIIZEMCSQOOVNV-UHFFFAOYSA-N
MW165.30 g/mol
LogP4.11
Rot. Bonds1

About cyclohexylcyclohexane

cyclohexylcyclohexane (PubChem CID 155930048) has the molecular formula C12H21+ and a molecular weight of 165.30 g/mol. Its IUPAC name is cyclohexylcyclohexane.

Molecular Properties

Compound Namecyclohexylcyclohexane
PubChem CID155930048
Molecular FormulaC12H21+
Molecular Weight165.30 g/mol
Exact Mass165.16
IUPAC Namecyclohexylcyclohexane
SMILESC1CC[C+](C2CCCCC2)CC1
InChIInChI=1S/C12H21/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2/q+1
InChIKeyLIIZEMCSQOOVNV-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Decalin
CID 7044
1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Bicyclohexyl
CID 7094
sec-Butylcyclohexane
CID 23468
Cyclohexane, cyclopropyl-
CID 141725
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
Bicyclo(3.3.1)nonane
CID 136101
(trans,trans)-4-Butyl-4'-propyl-1,1'-bicyclohexyl
CID 11086663
(trans,trans)-4-Ethyl-4'-propyl-1,1'-bicyclohexyl
CID 19850402
(trans,trans)-4-Pentyl-4'-propyl-1,1'-bicyclohexyl
CID 21972079
Cyclohexane, 1-(cyclohexylmethyl)-4-methyl-, trans-
CID 41201

Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane?
The IUPAC name of cyclohexylcyclohexane (CID 155930048) is cyclohexylcyclohexane.
What is the SMILES notation for cyclohexylcyclohexane?
The canonical SMILES for cyclohexylcyclohexane is C1CC[C+](C2CCCCC2)CC1.
What is the InChIKey of cyclohexylcyclohexane?
The InChIKey is LIIZEMCSQOOVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2/q+1.
What are the key properties of cyclohexylcyclohexane?
cyclohexylcyclohexane has a molecular weight of 165.30 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane is sourced from PubChem (CID 155930048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).