1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane

C14H28 — CID 91534762

IUPAC1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
SMILESCCC(CC(C)C1CCC1C)C(C)C
InChIInChI=1S/C14H28/c1-6-13(10(2)3)9-12(5)14-8-7-11(14)4/h10-14H,6-9H2,1-5H3
InChIKeyQPOJEPMAASBJCU-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds5

About 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane

1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane (PubChem CID 91534762) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane.

Molecular Properties

Compound Name1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
PubChem CID91534762
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
SMILESCCC(CC(C)C1CCC1C)C(C)C
InChIInChI=1S/C14H28/c1-6-13(10(2)3)9-12(5)14-8-7-11(14)4/h10-14H,6-9H2,1-5H3
InChIKeyQPOJEPMAASBJCU-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1-(4-ethyl-5-methyloctan-2-yl)-2-methylcyclopropane
CID 123850669
1-(4-butan-2-ylnonan-2-yl)-2-methylcycloheptane
CID 123447024
1-(4-methoxybutan-2-yl)-2-methylcyclobutane
CID 123971585
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
CID 144517503
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
1-(3-ethylpentan-2-yl)-2-methylcyclopropane
CID 91445578

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane?
The IUPAC name of 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane (CID 91534762) is 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane.
What is the SMILES notation for 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane?
The canonical SMILES for 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane is CCC(CC(C)C1CCC1C)C(C)C.
What is the InChIKey of 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane?
The InChIKey is QPOJEPMAASBJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-13(10(2)3)9-12(5)14-8-7-11(14)4/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane?
1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane is sourced from PubChem (CID 91534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).