1-methyl-4-propan-2-yl-2-propylcyclohexane

C13H26 — CID 91031299

IUPAC1-methyl-4-propan-2-yl-2-propylcyclohexane
SMILESCCCC1CC(C(C)C)CCC1C
InChIInChI=1S/C13H26/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h10-13H,5-9H2,1-4H3
InChIKeyNSPLXTAYAXKVLN-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds3

About 1-methyl-4-propan-2-yl-2-propylcyclohexane

1-methyl-4-propan-2-yl-2-propylcyclohexane (PubChem CID 91031299) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2-propylcyclohexane.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2-propylcyclohexane
PubChem CID91031299
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-4-propan-2-yl-2-propylcyclohexane
SMILESCCCC1CC(C(C)C)CCC1C
InChIInChI=1S/C13H26/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h10-13H,5-9H2,1-4H3
InChIKeyNSPLXTAYAXKVLN-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane
CID 91346201
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
CID 114110275
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2-propylcyclohexane?
The IUPAC name of 1-methyl-4-propan-2-yl-2-propylcyclohexane (CID 91031299) is 1-methyl-4-propan-2-yl-2-propylcyclohexane.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2-propylcyclohexane?
The canonical SMILES for 1-methyl-4-propan-2-yl-2-propylcyclohexane is CCCC1CC(C(C)C)CCC1C.
What is the InChIKey of 1-methyl-4-propan-2-yl-2-propylcyclohexane?
The InChIKey is NSPLXTAYAXKVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-methyl-4-propan-2-yl-2-propylcyclohexane?
1-methyl-4-propan-2-yl-2-propylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2-propylcyclohexane is sourced from PubChem (CID 91031299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).