tert-butylcyclohexane

C10H20 — CID 18508

IUPACtert-butylcyclohexane
SMILESCC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyXTVMZZBLCLWBPM-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds

About tert-butylcyclohexane

tert-butylcyclohexane (PubChem CID 18508) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is tert-butylcyclohexane.

Molecular Properties

Compound Nametert-butylcyclohexane
PubChem CID18508
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nametert-butylcyclohexane
SMILESCC(C)(C)C1CCCCC1
InChIInChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyXTVMZZBLCLWBPM-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Pentylcyclohexane
CID 20284
sec-Butylcyclohexane
CID 23468
Cyclogeraniolane
CID 18309
1,1-Dimethylcyclohexane
CID 11549
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
1-Methyl-2-propylcyclohexane
CID 107252
trans-1,1,3,5-Tetramethylcyclohexane
CID 55250338
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane?
The IUPAC name of tert-butylcyclohexane (CID 18508) is tert-butylcyclohexane.
What is the SMILES notation for tert-butylcyclohexane?
The canonical SMILES for tert-butylcyclohexane is CC(C)(C)C1CCCCC1.
What is the InChIKey of tert-butylcyclohexane?
The InChIKey is XTVMZZBLCLWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of tert-butylcyclohexane?
tert-butylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane is sourced from PubChem (CID 18508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).