2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol

C14H26O2 — CID 66368538

IUPAC2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol
SMILESCCC1(C)C(O)CC1OC1CCC(C)CC1
InChIInChI=1S/C14H26O2/c1-4-14(3)12(15)9-13(14)16-11-7-5-10(2)6-8-11/h10-13,15H,4-9H2,1-3H3
InChIKeyDJQSIAFAQRGAII-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds3

About 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol

2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol (PubChem CID 66368538) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol
PubChem CID66368538
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol
SMILESCCC1(C)C(O)CC1OC1CCC(C)CC1
InChIInChI=1S/C14H26O2/c1-4-14(3)12(15)9-13(14)16-11-7-5-10(2)6-8-11/h10-13,15H,4-9H2,1-3H3
InChIKeyDJQSIAFAQRGAII-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol (CID 66368538) is 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol is CCC1(C)C(O)CC1OC1CCC(C)CC1.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
The InChIKey is DJQSIAFAQRGAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(3)12(15)9-13(14)16-11-7-5-10(2)6-8-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol is sourced from PubChem (CID 66368538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).