1-butan-2-yl-2-(2-methoxyethyl)cyclohexane

C13H26O — CID 175488685

IUPAC1-butan-2-yl-2-(2-methoxyethyl)cyclohexane
SMILESCCC(C)C1CCCCC1CCOC
InChIInChI=1S/C13H26O/c1-4-11(2)13-8-6-5-7-12(13)9-10-14-3/h11-13H,4-10H2,1-3H3
InChIKeyRBSAAZZIJUUMEI-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.88
Rot. Bonds5

About 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane

1-butan-2-yl-2-(2-methoxyethyl)cyclohexane (PubChem CID 175488685) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-methoxyethyl)cyclohexane
PubChem CID175488685
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-butan-2-yl-2-(2-methoxyethyl)cyclohexane
SMILESCCC(C)C1CCCCC1CCOC
InChIInChI=1S/C13H26O/c1-4-11(2)13-8-6-5-7-12(13)9-10-14-3/h11-13H,4-10H2,1-3H3
InChIKeyRBSAAZZIJUUMEI-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
2-(2-methoxyethyl)cyclohexan-1-ol
CID 14682106
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
1-ethyl-2-(2-methoxyethyl)cyclopentane
CID 177070820
(1S)-1-(1-methoxy-4-methylheptan-3-yl)-2-propylcyclohexane
CID 146613780
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81024946
2-butan-2-ylcycloheptan-1-ol
CID 23148884
2-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61382219
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
1-butan-2-yl-2-ethylcyclobutane
CID 91142944

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane?
The IUPAC name of 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane (CID 175488685) is 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane.
What is the SMILES notation for 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane?
The canonical SMILES for 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane is CCC(C)C1CCCCC1CCOC.
What is the InChIKey of 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane?
The InChIKey is RBSAAZZIJUUMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-11(2)13-8-6-5-7-12(13)9-10-14-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane?
1-butan-2-yl-2-(2-methoxyethyl)cyclohexane has a molecular weight of 198.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-methoxyethyl)cyclohexane is sourced from PubChem (CID 175488685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).