2,3,4-trimethylpentan-3-ylcyclohexane

C14H28 — CID 140706198

IUPAC2,3,4-trimethylpentan-3-ylcyclohexane
SMILESCC(C)C(C)(C(C)C)C1CCCCC1
InChIInChI=1S/C14H28/c1-11(2)14(5,12(3)4)13-9-7-6-8-10-13/h11-13H,6-10H2,1-5H3
InChIKeyDQPUACKWKQBHMF-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds3

About 2,3,4-trimethylpentan-3-ylcyclohexane

2,3,4-trimethylpentan-3-ylcyclohexane (PubChem CID 140706198) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,3,4-trimethylpentan-3-ylcyclohexane.

Molecular Properties

Compound Name2,3,4-trimethylpentan-3-ylcyclohexane
PubChem CID140706198
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,3,4-trimethylpentan-3-ylcyclohexane
SMILESCC(C)C(C)(C(C)C)C1CCCCC1
InChIInChI=1S/C14H28/c1-11(2)14(5,12(3)4)13-9-7-6-8-10-13/h11-13H,6-10H2,1-5H3
InChIKeyDQPUACKWKQBHMF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Pentylcyclohexane
CID 20284
sec-Butylcyclohexane
CID 23468
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
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712
Heptylcyclohexane
CID 21832
1,2-Dimethylcyclohexane
CID 11416

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpentan-3-ylcyclohexane?
The IUPAC name of 2,3,4-trimethylpentan-3-ylcyclohexane (CID 140706198) is 2,3,4-trimethylpentan-3-ylcyclohexane.
What is the SMILES notation for 2,3,4-trimethylpentan-3-ylcyclohexane?
The canonical SMILES for 2,3,4-trimethylpentan-3-ylcyclohexane is CC(C)C(C)(C(C)C)C1CCCCC1.
What is the InChIKey of 2,3,4-trimethylpentan-3-ylcyclohexane?
The InChIKey is DQPUACKWKQBHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11(2)14(5,12(3)4)13-9-7-6-8-10-13/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,3,4-trimethylpentan-3-ylcyclohexane?
2,3,4-trimethylpentan-3-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpentan-3-ylcyclohexane is sourced from PubChem (CID 140706198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).