1,2,3,5-tetra(propan-2-yl)cyclohexane

C18H36 — CID 566241

IUPAC1,2,3,5-tetra(propan-2-yl)cyclohexane
SMILESCC(C)C1CC(C(C)C)C(C(C)C)C(C(C)C)C1
InChIInChI=1S/C18H36/c1-11(2)15-9-16(12(3)4)18(14(7)8)17(10-15)13(5)6/h11-18H,9-10H2,1-8H3
InChIKeyOSFCYBJAAQCHFK-UHFFFAOYSA-N
MW252.49 g/mol
LogP5.87
Rot. Bonds4

About 1,2,3,5-tetra(propan-2-yl)cyclohexane

1,2,3,5-tetra(propan-2-yl)cyclohexane (PubChem CID 566241) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1,2,3,5-tetra(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,2,3,5-tetra(propan-2-yl)cyclohexane
PubChem CID566241
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1,2,3,5-tetra(propan-2-yl)cyclohexane
SMILESCC(C)C1CC(C(C)C)C(C(C)C)C(C(C)C)C1
InChIInChI=1S/C18H36/c1-11(2)15-9-16(12(3)4)18(14(7)8)17(10-15)13(5)6/h11-18H,9-10H2,1-8H3
InChIKeyOSFCYBJAAQCHFK-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
1,2,4-Trimethylcyclohexane
CID 91517
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
Decylcyclohexane
CID 15713
1,2,3-Trimethylcyclohexane
CID 15507
1,2,4,5-Tetramethylcyclohexane
CID 92914
Cyclohexane, tetradecyl-
CID 15715
Tridecylcyclohexane
CID 22327
cis,trans,cis-1,2,4-Trimethylcyclohexane
CID 12536912
Undecylcyclohexane
CID 40997
Dodecylcyclohexane
CID 15714
1-Cyclohexyloctadecane
CID 20514

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetra(propan-2-yl)cyclohexane?
The IUPAC name of 1,2,3,5-tetra(propan-2-yl)cyclohexane (CID 566241) is 1,2,3,5-tetra(propan-2-yl)cyclohexane.
What is the SMILES notation for 1,2,3,5-tetra(propan-2-yl)cyclohexane?
The canonical SMILES for 1,2,3,5-tetra(propan-2-yl)cyclohexane is CC(C)C1CC(C(C)C)C(C(C)C)C(C(C)C)C1.
What is the InChIKey of 1,2,3,5-tetra(propan-2-yl)cyclohexane?
The InChIKey is OSFCYBJAAQCHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-11(2)15-9-16(12(3)4)18(14(7)8)17(10-15)13(5)6/h11-18H,9-10H2,1-8H3.
What are the key properties of 1,2,3,5-tetra(propan-2-yl)cyclohexane?
1,2,3,5-tetra(propan-2-yl)cyclohexane has a molecular weight of 252.49 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetra(propan-2-yl)cyclohexane is sourced from PubChem (CID 566241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).