2,2-diethyl-3-heptoxycyclobutan-1-ol

C15H30O2 — CID 66368150

IUPAC2,2-diethyl-3-heptoxycyclobutan-1-ol
SMILESCCCCCCCOC1CC(O)C1(CC)CC
InChIInChI=1S/C15H30O2/c1-4-7-8-9-10-11-17-14-12-13(16)15(14,5-2)6-3/h13-14,16H,4-12H2,1-3H3
InChIKeyOZVZLQLLQSLHGK-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.91
Rot. Bonds9

About 2,2-diethyl-3-heptoxycyclobutan-1-ol

2,2-diethyl-3-heptoxycyclobutan-1-ol (PubChem CID 66368150) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2,2-diethyl-3-heptoxycyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-heptoxycyclobutan-1-ol
PubChem CID66368150
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2,2-diethyl-3-heptoxycyclobutan-1-ol
SMILESCCCCCCCOC1CC(O)C1(CC)CC
InChIInChI=1S/C15H30O2/c1-4-7-8-9-10-11-17-14-12-13(16)15(14,5-2)6-3/h13-14,16H,4-12H2,1-3H3
InChIKeyOZVZLQLLQSLHGK-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
2,2-diethyl-3-(3-phenylpropoxy)cyclobutan-1-ol
CID 66344797
2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol
CID 103286235
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-heptoxy-2,2-dimethylcyclobutan-1-amine
CID 66359446
2-bromo-1-ethyl-1-methyl-4-pentoxycyclobutane
CID 66343460
2-octoxybicyclo[2.2.1]heptan-1-ol
CID 68718849
(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-octoxycyclohexane-1,2,3-triol
CID 10469479
2-bromo-1,1-dimethyl-4-pentoxycyclobutane
CID 66346400
heptoxycyclopropane
CID 54099544
3-tetradecoxycyclohexan-1-ol
CID 173215393
5-octadecoxybicyclo[2.2.1]heptan-2-ol
CID 173215531

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-heptoxycyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-heptoxycyclobutan-1-ol (CID 66368150) is 2,2-diethyl-3-heptoxycyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-heptoxycyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-heptoxycyclobutan-1-ol is CCCCCCCOC1CC(O)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-heptoxycyclobutan-1-ol?
The InChIKey is OZVZLQLLQSLHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-7-8-9-10-11-17-14-12-13(16)15(14,5-2)6-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-3-heptoxycyclobutan-1-ol?
2,2-diethyl-3-heptoxycyclobutan-1-ol has a molecular weight of 242.40 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-heptoxycyclobutan-1-ol is sourced from PubChem (CID 66368150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).