ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane

C17H38O — CID 144764405

IUPACethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane
SMILESCC.CC(C)CCC1(C)CCC1.CCCCOC
InChIInChI=1S/C10H20.C5H12O.C2H6/c1-9(2)5-8-10(3)6-4-7-10;1-3-4-5-6-2;1-2/h9H,4-8H2,1-3H3;3-5H2,1-2H3;1-2H3
InChIKeyJWVZFNBICDERGD-UHFFFAOYSA-N
MW258.49 g/mol
LogP6.07
Rot. Bonds6

About ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane

ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane (PubChem CID 144764405) has the molecular formula C17H38O and a molecular weight of 258.49 g/mol. Its IUPAC name is ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane.

Molecular Properties

Compound Nameethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane
PubChem CID144764405
Molecular FormulaC17H38O
Molecular Weight258.49 g/mol
Exact Mass258.29
IUPAC Nameethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane
SMILESCC.CC(C)CCC1(C)CCC1.CCCCOC
InChIInChI=1S/C10H20.C5H12O.C2H6/c1-9(2)5-8-10(3)6-4-7-10;1-3-4-5-6-2;1-2/h9H,4-8H2,1-3H3;3-5H2,1-2H3;1-2H3
InChIKeyJWVZFNBICDERGD-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-methoxybutane;N-methylmethanamine
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CID 155293079

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane?
The IUPAC name of ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane (CID 144764405) is ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane.
What is the SMILES notation for ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane?
The canonical SMILES for ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane is CC.CC(C)CCC1(C)CCC1.CCCCOC.
What is the InChIKey of ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane?
The InChIKey is JWVZFNBICDERGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C5H12O.C2H6/c1-9(2)5-8-10(3)6-4-7-10;1-3-4-5-6-2;1-2/h9H,4-8H2,1-3H3;3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane?
ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane has a molecular weight of 258.49 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxybutane;1-methyl-1-(3-methylbutyl)cyclobutane is sourced from PubChem (CID 144764405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).