cis-(1S,2R)-1,2-ditert-butylcyclohexane

C14H28 — CID 59711734

IUPACcis-(1S,2R)-1,2-ditert-butylcyclohexane
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1C(C)(C)C
InChIInChI=1S/C14H28/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+
InChIKeyFPPQKYTWISSUGQ-TXEJJXNPSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds

About cis-(1S,2R)-1,2-ditert-butylcyclohexane

cis-(1S,2R)-1,2-ditert-butylcyclohexane (PubChem CID 59711734) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-ditert-butylcyclohexane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-ditert-butylcyclohexane
PubChem CID59711734
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Namecis-(1S,2R)-1,2-ditert-butylcyclohexane
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1C(C)(C)C
InChIInChI=1S/C14H28/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+
InChIKeyFPPQKYTWISSUGQ-TXEJJXNPSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-ditert-butylcyclohexane?
The IUPAC name of cis-(1S,2R)-1,2-ditert-butylcyclohexane (CID 59711734) is cis-(1S,2R)-1,2-ditert-butylcyclohexane.
What is the SMILES notation for cis-(1S,2R)-1,2-ditert-butylcyclohexane?
The canonical SMILES for cis-(1S,2R)-1,2-ditert-butylcyclohexane is CC(C)(C)[C@@H]1CCCC[C@@H]1C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-1,2-ditert-butylcyclohexane?
The InChIKey is FPPQKYTWISSUGQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H28/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12+.
What are the key properties of cis-(1S,2R)-1,2-ditert-butylcyclohexane?
cis-(1S,2R)-1,2-ditert-butylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-ditert-butylcyclohexane is sourced from PubChem (CID 59711734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).