2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane

C20H34O4 — CID 163208859

IUPAC2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane
SMILESCC(CC(OC1CCC1)OC1CCC1)(OC1CCC1)OC1CCC1
InChIInChI=1S/C20H34O4/c1-20(23-17-10-4-11-17,24-18-12-5-13-18)14-19(21-15-6-2-7-15)22-16-8-3-9-16/h15-19H,2-14H2,1H3
InChIKeyOOWOBPWEMSGBEY-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.70
Rot. Bonds10

About 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane

2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane (PubChem CID 163208859) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane.

Molecular Properties

Compound Name2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane
PubChem CID163208859
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane
SMILESCC(CC(OC1CCC1)OC1CCC1)(OC1CCC1)OC1CCC1
InChIInChI=1S/C20H34O4/c1-20(23-17-10-4-11-17,24-18-12-5-13-18)14-19(21-15-6-2-7-15)22-16-8-3-9-16/h15-19H,2-14H2,1H3
InChIKeyOOWOBPWEMSGBEY-UHFFFAOYSA-N
XLogP4.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyloxy-2,4-dimethylpentanoic acid
CID 114995104
(1-cyclohexyloxy-3,3-dimethylbutyl) formate;2,2-dimethylbutane
CID 144690616
(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol
CID 58469090
2-ethoxybutan-2-yloxycyclopropane
CID 173201608
(1-cyclohexyloxy-3,3-dimethylbutyl) 2-tert-butyl-2,4-dimethylpentanoate
CID 144560546
CID 174066686
CID 174066686
cyclobutyloxymethanediol
CID 175474917
trifluoromethoxycyclobutane
CID 118087158
1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol
CID 147950390
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
propan-2-yloxycycloundecane
CID 91254526
(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol
CID 97304791

Frequently Asked Questions

What is the IUPAC name of 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane?
The IUPAC name of 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane (CID 163208859) is 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane.
What is the SMILES notation for 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane?
The canonical SMILES for 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane is CC(CC(OC1CCC1)OC1CCC1)(OC1CCC1)OC1CCC1.
What is the InChIKey of 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane?
The InChIKey is OOWOBPWEMSGBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-20(23-17-10-4-11-17,24-18-12-5-13-18)14-19(21-15-6-2-7-15)22-16-8-3-9-16/h15-19H,2-14H2,1H3.
What are the key properties of 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane?
2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane has a molecular weight of 338.49 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-tri(cyclobutyloxy)butan-2-yloxycyclobutane is sourced from PubChem (CID 163208859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).