2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol

C14H28O2 — CID 103286235

IUPAC2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol
SMILESCCCC(C)COC1CC(O)C1(CC)CC
InChIInChI=1S/C14H28O2/c1-5-8-11(4)10-16-13-9-12(15)14(13,6-2)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyPTXBPOPDFADMQZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds7

About 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol

2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol (PubChem CID 103286235) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol
PubChem CID103286235
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol
SMILESCCCC(C)COC1CC(O)C1(CC)CC
InChIInChI=1S/C14H28O2/c1-5-8-11(4)10-16-13-9-12(15)14(13,6-2)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyPTXBPOPDFADMQZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
(1S,2R,4R,5R)-3,6-bis(2-methylpentoxy)cyclohexane-1,2,4,5-tetrol
CID 163839559
2,2-diethyl-3-heptoxycyclobutan-1-ol
CID 66368150
2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
CID 66366275
2-ethyl-2-(2-methylpentyl)bicyclo[1.1.0]butane
CID 123626685
2-(2-methylpentoxy)cyclododecan-1-ol
CID 103284744
3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol
CID 82825677
4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol
CID 103284715
2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
CID 66344808
2,2-diethyl-3-(3-phenylpropoxy)cyclobutan-1-ol
CID 66344797
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-chloro-4-(2,2-difluoroethoxy)-1,1-diethylcyclobutane
CID 82009791

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol (CID 103286235) is 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol is CCCC(C)COC1CC(O)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol?
The InChIKey is PTXBPOPDFADMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-8-11(4)10-16-13-9-12(15)14(13,6-2)7-3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol?
2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2-methylpentoxy)cyclobutan-1-ol is sourced from PubChem (CID 103286235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).