3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol

C16H32O2 — CID 70879321

IUPAC3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol
SMILESCCC1(C)CCCC(O)(CCOC(C)C(C)C)C1
InChIInChI=1S/C16H32O2/c1-6-15(5)8-7-9-16(17,12-15)10-11-18-14(4)13(2)3/h13-14,17H,6-12H2,1-5H3
InChIKeyRVXYOLZVGXRCCA-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.16
Rot. Bonds6

About 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol

3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol (PubChem CID 70879321) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol
PubChem CID70879321
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol
SMILESCCC1(C)CCCC(O)(CCOC(C)C(C)C)C1
InChIInChI=1S/C16H32O2/c1-6-15(5)8-7-9-16(17,12-15)10-11-18-14(4)13(2)3/h13-14,17H,6-12H2,1-5H3
InChIKeyRVXYOLZVGXRCCA-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol?
The IUPAC name of 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol (CID 70879321) is 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol?
The canonical SMILES for 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol is CCC1(C)CCCC(O)(CCOC(C)C(C)C)C1.
What is the InChIKey of 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol?
The InChIKey is RVXYOLZVGXRCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-15(5)8-7-9-16(17,12-15)10-11-18-14(4)13(2)3/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol?
3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[2-(3-methylbutan-2-yloxy)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 70879321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).