3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol

C15H28O2 — CID 114249116

IUPAC3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1OCC1CCCCCC1
InChIInChI=1S/C15H28O2/c1-3-15(2)13(16)10-14(15)17-11-12-8-6-4-5-7-9-12/h12-14,16H,3-11H2,1-2H3
InChIKeyODMAXISFRSBKOI-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.52
Rot. Bonds4

About 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol

3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol (PubChem CID 114249116) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol
PubChem CID114249116
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1OCC1CCCCCC1
InChIInChI=1S/C15H28O2/c1-3-15(2)13(16)10-14(15)17-11-12-8-6-4-5-7-9-12/h12-14,16H,3-11H2,1-2H3
InChIKeyODMAXISFRSBKOI-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol?
The IUPAC name of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol (CID 114249116) is 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol?
The canonical SMILES for 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol is CCC1(C)C(O)CC1OCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol?
The InChIKey is ODMAXISFRSBKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-15(2)13(16)10-14(15)17-11-12-8-6-4-5-7-9-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol?
3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethoxy)-2-ethyl-2-methylcyclobutan-1-ol is sourced from PubChem (CID 114249116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).