1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane

C14H26 — CID 147298392

IUPAC1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
SMILESCCC1CC(CC2CCC(C)CC2)C1
InChIInChI=1S/C14H26/c1-3-12-8-14(9-12)10-13-6-4-11(2)5-7-13/h11-14H,3-10H2,1-2H3
InChIKeyMLIBGXPEVRLXHI-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds3

About 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane

1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane (PubChem CID 147298392) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
PubChem CID147298392
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
SMILESCCC1CC(CC2CCC(C)CC2)C1
InChIInChI=1S/C14H26/c1-3-12-8-14(9-12)10-13-6-4-11(2)5-7-13/h11-14H,3-10H2,1-2H3
InChIKeyMLIBGXPEVRLXHI-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-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1,3-diethylcyclopentane
CID 530396
1-ethyl-3-methylcyclopentane;methane
CID 144878558
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane?
The IUPAC name of 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane (CID 147298392) is 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane is CCC1CC(CC2CCC(C)CC2)C1.
What is the InChIKey of 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane?
The InChIKey is MLIBGXPEVRLXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-12-8-14(9-12)10-13-6-4-11(2)5-7-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane?
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane 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 1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane is sourced from PubChem (CID 147298392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).