1,1,3-trimethyl-2-propylcyclohexane

C12H24 — CID 549909

IUPAC1,1,3-trimethyl-2-propylcyclohexane
SMILESCCCC1C(C)CCCC1(C)C
InChIInChI=1S/C12H24/c1-5-7-11-10(2)8-6-9-12(11,3)4/h10-11H,5-9H2,1-4H3
InChIKeyAOJINVFBSSUEIK-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds2

About 1,1,3-trimethyl-2-propylcyclohexane

1,1,3-trimethyl-2-propylcyclohexane (PubChem CID 549909) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,1,3-trimethyl-2-propylcyclohexane.

Molecular Properties

Compound Name1,1,3-trimethyl-2-propylcyclohexane
PubChem CID549909
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,1,3-trimethyl-2-propylcyclohexane
SMILESCCCC1C(C)CCCC1(C)C
InChIInChI=1S/C12H24/c1-5-7-11-10(2)8-6-9-12(11,3)4/h10-11H,5-9H2,1-4H3
InChIKeyAOJINVFBSSUEIK-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isopropylcyclohexane
CID 12763
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
1-Methyl-2-propylcyclohexane
CID 107252
1,2-Dimethylcyclohexane
CID 11416
1,2,3-Trimethylcyclohexane
CID 15507
Cyclogeraniolane
CID 18309
1,2,4,5-Tetramethylcyclohexane
CID 92914
1-Methyl-3-propylcyclohexane
CID 138178
cis-1,1,3,5-Tetramethylcyclohexane
CID 6432486

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-2-propylcyclohexane?
The IUPAC name of 1,1,3-trimethyl-2-propylcyclohexane (CID 549909) is 1,1,3-trimethyl-2-propylcyclohexane.
What is the SMILES notation for 1,1,3-trimethyl-2-propylcyclohexane?
The canonical SMILES for 1,1,3-trimethyl-2-propylcyclohexane is CCCC1C(C)CCCC1(C)C.
What is the InChIKey of 1,1,3-trimethyl-2-propylcyclohexane?
The InChIKey is AOJINVFBSSUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-7-11-10(2)8-6-9-12(11,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1,3-trimethyl-2-propylcyclohexane?
1,1,3-trimethyl-2-propylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2-propylcyclohexane is sourced from PubChem (CID 549909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).