1-(4-methoxybutan-2-yl)-2-methylcyclobutane

C10H20O — CID 123971585

IUPAC1-(4-methoxybutan-2-yl)-2-methylcyclobutane
SMILESCOCCC(C)C1CCC1C
InChIInChI=1S/C10H20O/c1-8-4-5-10(8)9(2)6-7-11-3/h8-10H,4-7H2,1-3H3
InChIKeyLDLGGTLEZQWWPO-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-methoxybutan-2-yl)-2-methylcyclobutane

1-(4-methoxybutan-2-yl)-2-methylcyclobutane (PubChem CID 123971585) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-2-methylcyclobutane.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-2-methylcyclobutane
PubChem CID123971585
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-(4-methoxybutan-2-yl)-2-methylcyclobutane
SMILESCOCCC(C)C1CCC1C
InChIInChI=1S/C10H20O/c1-8-4-5-10(8)9(2)6-7-11-3/h8-10H,4-7H2,1-3H3
InChIKeyLDLGGTLEZQWWPO-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-methoxybutan-2-yl)-4-methylcyclohexyl]methanamine
CID 116500448
1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
N-[[2-(4-methoxybutan-2-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 116500524
[1-(3,4-dimethylcyclohexyl)-3-methoxypropyl]hydrazine
CID 105206434
1-(4-ethyl-5-methylhexan-2-yl)-2-methylcyclobutane
CID 91534762
1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane
CID 143345986
5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 64603308
(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
1-(4-methoxybutan-2-yl)-4-methylpiperidin-3-ol
CID 103898067
trans-(1R,2R)-N-(1-methoxypropan-2-yl)-2-methylcyclopropan-1-amine
CID 130921581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-2-methylcyclobutane?
The IUPAC name of 1-(4-methoxybutan-2-yl)-2-methylcyclobutane (CID 123971585) is 1-(4-methoxybutan-2-yl)-2-methylcyclobutane.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-2-methylcyclobutane?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-2-methylcyclobutane is COCCC(C)C1CCC1C.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-2-methylcyclobutane?
The InChIKey is LDLGGTLEZQWWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8-4-5-10(8)9(2)6-7-11-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(4-methoxybutan-2-yl)-2-methylcyclobutane?
1-(4-methoxybutan-2-yl)-2-methylcyclobutane has a molecular weight of 156.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-2-methylcyclobutane is sourced from PubChem (CID 123971585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).