4-[4-(2-methylpropyl)cyclohexyl]butan-2-one

C14H26O — CID 167520283

IUPAC4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
SMILESCC(=O)CCC1CCC(CC(C)C)CC1
InChIInChI=1S/C14H26O/c1-11(2)10-14-8-6-13(7-9-14)5-4-12(3)15/h11,13-14H,4-10H2,1-3H3
InChIKeyBLHSNWMSYMGHST-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds5

About 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one

4-[4-(2-methylpropyl)cyclohexyl]butan-2-one (PubChem CID 167520283) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
PubChem CID167520283
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
SMILESCC(=O)CCC1CCC(CC(C)C)CC1
InChIInChI=1S/C14H26O/c1-11(2)10-14-8-6-13(7-9-14)5-4-12(3)15/h11,13-14H,4-10H2,1-3H3
InChIKeyBLHSNWMSYMGHST-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-acetylcyclohexyl)butan-2-one
CID 58356027
1-(2-methylpropyl)-4-(2-methylsulfonylethyl)cyclohexane
CID 175274886
N-acetyl-N-[4-(2-methylpropyl)cyclohexyl]acetamide
CID 58916625
2,2-dimethylpropane;N-[4-(2-methylpropyl)cyclohexyl]acetamide
CID 143679786
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
(E)-4-[2-[4-(2-methylpropyl)cyclohexyl]ethoxy]-4-oxobut-2-enoic acid
CID 172565476
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
4-[1-(2-methylpropyl)piperidin-3-yl]butan-2-one
CID 83982945
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one?
The IUPAC name of 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one (CID 167520283) is 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one.
What is the SMILES notation for 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one?
The canonical SMILES for 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one is CC(=O)CCC1CCC(CC(C)C)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one?
The InChIKey is BLHSNWMSYMGHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)10-14-8-6-13(7-9-14)5-4-12(3)15/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one?
4-[4-(2-methylpropyl)cyclohexyl]butan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)cyclohexyl]butan-2-one is sourced from PubChem (CID 167520283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).