1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane

C15H30 — CID 123280607

IUPAC1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
SMILESCCC(C(C)C)C(C)C1CCC(C)CC1
InChIInChI=1S/C15H30/c1-6-15(11(2)3)13(5)14-9-7-12(4)8-10-14/h11-15H,6-10H2,1-5H3
InChIKeyDOBLXZRLEFFFPA-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds4

About 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane

1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane (PubChem CID 123280607) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
PubChem CID123280607
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
SMILESCCC(C(C)C)C(C)C1CCC(C)CC1
InChIInChI=1S/C15H30/c1-6-15(11(2)3)13(5)14-9-7-12(4)8-10-14/h11-15H,6-10H2,1-5H3
InChIKeyDOBLXZRLEFFFPA-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
CID 142348869
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
2-[fluoro-(4-methylcyclohexyl)methyl]-3-methylbutan-1-amine
CID 107443654
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane
CID 123564537
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
2-cyclopropyl-1-(4-methylcyclohexyl)propan-1-amine
CID 104988128

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane?
The IUPAC name of 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane (CID 123280607) is 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane is CCC(C(C)C)C(C)C1CCC(C)CC1.
What is the InChIKey of 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane?
The InChIKey is DOBLXZRLEFFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-15(11(2)3)13(5)14-9-7-12(4)8-10-14/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane?
1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 123280607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).