4-methylpentoxycyclobutane

C10H20O — CID 90912087

IUPAC4-methylpentoxycyclobutane
SMILESCC(C)CCCOC1CCC1
InChIInChI=1S/C10H20O/c1-9(2)5-4-8-11-10-6-3-7-10/h9-10H,3-8H2,1-2H3
InChIKeyDSMSRBDCEVAVSB-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds5

About 4-methylpentoxycyclobutane

4-methylpentoxycyclobutane (PubChem CID 90912087) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methylpentoxycyclobutane.

Molecular Properties

Compound Name4-methylpentoxycyclobutane
PubChem CID90912087
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-methylpentoxycyclobutane
SMILESCC(C)CCCOC1CCC1
InChIInChI=1S/C10H20O/c1-9(2)5-4-8-11-10-6-3-7-10/h9-10H,3-8H2,1-2H3
InChIKeyDSMSRBDCEVAVSB-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of 4-methylpentoxycyclobutane?
The IUPAC name of 4-methylpentoxycyclobutane (CID 90912087) is 4-methylpentoxycyclobutane.
What is the SMILES notation for 4-methylpentoxycyclobutane?
The canonical SMILES for 4-methylpentoxycyclobutane is CC(C)CCCOC1CCC1.
What is the InChIKey of 4-methylpentoxycyclobutane?
The InChIKey is DSMSRBDCEVAVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)5-4-8-11-10-6-3-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-methylpentoxycyclobutane?
4-methylpentoxycyclobutane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxycyclobutane is sourced from PubChem (CID 90912087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).