1-tert-butyl-1-propylcyclohexane

C13H26 — CID 173344260

IUPAC1-tert-butyl-1-propylcyclohexane
SMILESCCCC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C13H26/c1-5-9-13(12(2,3)4)10-7-6-8-11-13/h5-11H2,1-4H3
InChIKeyWERBUVSNSRBALP-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds2

About 1-tert-butyl-1-propylcyclohexane

1-tert-butyl-1-propylcyclohexane (PubChem CID 173344260) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-tert-butyl-1-propylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-1-propylcyclohexane
PubChem CID173344260
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-tert-butyl-1-propylcyclohexane
SMILESCCCC1(C(C)(C)C)CCCCC1
InChIInChI=1S/C13H26/c1-5-9-13(12(2,3)4)10-7-6-8-11-13/h5-11H2,1-4H3
InChIKeyWERBUVSNSRBALP-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-3-ethylpiperidine
CID 89426414
1-tert-butyl-1-ethylcyclopropane
CID 58798513
1-bromo-1-propylcyclohexane
CID 23364805
[diphenyl-(1-propylcyclopentyl)methyl]phosphane
CID 166686314
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1-(3-bromopropyl)-1-propylcyclohexane
CID 150638484
1,8-dipropyl-9-azabicyclo[6.1.1]decane
CID 166701851
1-butyl-1-cycloheptylcycloheptane
CID 140610618
(3S)-3-tert-butyl-3-ethylthiane
CID 89291770
1-tert-butyl-2,2-dimethyl-1-propylcyclobutane
CID 143779764
1-ethoxy-1-propylcyclohexane
CID 154221474

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-propylcyclohexane?
The IUPAC name of 1-tert-butyl-1-propylcyclohexane (CID 173344260) is 1-tert-butyl-1-propylcyclohexane.
What is the SMILES notation for 1-tert-butyl-1-propylcyclohexane?
The canonical SMILES for 1-tert-butyl-1-propylcyclohexane is CCCC1(C(C)(C)C)CCCCC1.
What is the InChIKey of 1-tert-butyl-1-propylcyclohexane?
The InChIKey is WERBUVSNSRBALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-9-13(12(2,3)4)10-7-6-8-11-13/h5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-1-propylcyclohexane?
1-tert-butyl-1-propylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-propylcyclohexane is sourced from PubChem (CID 173344260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).