1-butan-2-yloxy-4-pentan-2-ylcyclohexane

C15H30O — CID 123764512

IUPAC1-butan-2-yloxy-4-pentan-2-ylcyclohexane
SMILESCCCC(C)C1CCC(OC(C)CC)CC1
InChIInChI=1S/C15H30O/c1-5-7-12(3)14-8-10-15(11-9-14)16-13(4)6-2/h12-15H,5-11H2,1-4H3
InChIKeyMQJAGEYPOMOJSP-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.80
Rot. Bonds6

About 1-butan-2-yloxy-4-pentan-2-ylcyclohexane

1-butan-2-yloxy-4-pentan-2-ylcyclohexane (PubChem CID 123764512) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-butan-2-yloxy-4-pentan-2-ylcyclohexane.

Molecular Properties

Compound Name1-butan-2-yloxy-4-pentan-2-ylcyclohexane
PubChem CID123764512
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-butan-2-yloxy-4-pentan-2-ylcyclohexane
SMILESCCCC(C)C1CCC(OC(C)CC)CC1
InChIInChI=1S/C15H30O/c1-5-7-12(3)14-8-10-15(11-9-14)16-13(4)6-2/h12-15H,5-11H2,1-4H3
InChIKeyMQJAGEYPOMOJSP-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 23528463
(1S)-1-butan-2-yloxy-3-propan-2-ylcyclopentane
CID 134266441
octan-2-ylcyclopropane
CID 18968125
4-butan-2-yloxypiperidine
CID 43346315
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
1-(bromomethyl)-4-pentan-2-ylcyclohexane
CID 163505099
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
4-butan-2-yloxycyclohexane-1-carboxylic acid
CID 90797146
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-4-pentan-2-ylcyclohexane?
The IUPAC name of 1-butan-2-yloxy-4-pentan-2-ylcyclohexane (CID 123764512) is 1-butan-2-yloxy-4-pentan-2-ylcyclohexane.
What is the SMILES notation for 1-butan-2-yloxy-4-pentan-2-ylcyclohexane?
The canonical SMILES for 1-butan-2-yloxy-4-pentan-2-ylcyclohexane is CCCC(C)C1CCC(OC(C)CC)CC1.
What is the InChIKey of 1-butan-2-yloxy-4-pentan-2-ylcyclohexane?
The InChIKey is MQJAGEYPOMOJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-7-12(3)14-8-10-15(11-9-14)16-13(4)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-butan-2-yloxy-4-pentan-2-ylcyclohexane?
1-butan-2-yloxy-4-pentan-2-ylcyclohexane has a molecular weight of 226.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-4-pentan-2-ylcyclohexane is sourced from PubChem (CID 123764512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).