3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane

C14H26 — CID 123184882

IUPAC3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane
SMILESCCC1(C)CCC(C)C(CC2CC2)C1
InChIInChI=1S/C14H26/c1-4-14(3)8-7-11(2)13(10-14)9-12-5-6-12/h11-13H,4-10H2,1-3H3
InChIKeyYOQJJZVXGCQEQG-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds3

About 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane

3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane (PubChem CID 123184882) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane
PubChem CID123184882
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane
SMILESCCC1(C)CCC(C)C(CC2CC2)C1
InChIInChI=1S/C14H26/c1-4-14(3)8-7-11(2)13(10-14)9-12-5-6-12/h11-13H,4-10H2,1-3H3
InChIKeyYOQJJZVXGCQEQG-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-Trimethylcyclohexane
CID 91517
1,1,2-Trimethylcyclohexane
CID 35363
1,2,4,5-Tetramethylcyclohexane
CID 92914
cis,trans,cis-1,2,4-Trimethylcyclohexane
CID 12536912
(1S,2S,4S)-1,2,4-trimethylcyclohexane
CID 252327
1Alpha,2beta,4-beta-trimethylcyclohexane
CID 6432704
1,2,3,4-Tetramethylcyclohexane
CID 94277
Carane
CID 79043
2-Butyl-1,1,3-trimethylcyclohexane
CID 549926
1,2,3,5-Tetramethylcyclohexane
CID 94276
1-Ethyl-2,4-dimethylcyclohexane
CID 108537
1,4-Di-tert-butylcyclohexane
CID 138351

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane?
The IUPAC name of 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane (CID 123184882) is 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane?
The canonical SMILES for 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane is CCC1(C)CCC(C)C(CC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane?
The InChIKey is YOQJJZVXGCQEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-14(3)8-7-11(2)13(10-14)9-12-5-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane?
3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-ethyl-1,4-dimethylcyclohexane is sourced from PubChem (CID 123184882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).