2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol

C14H28O2 — CID 65149594

IUPAC2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol
SMILESCCCC(C)CC1(O)CCOC(C)(CC)C1
InChIInChI=1S/C14H28O2/c1-5-7-12(3)10-14(15)8-9-16-13(4,6-2)11-14/h12,15H,5-11H2,1-4H3
InChIKeyAIODUXDJNVSLAS-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds5

About 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol

2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol (PubChem CID 65149594) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol
PubChem CID65149594
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol
SMILESCCCC(C)CC1(O)CCOC(C)(CC)C1
InChIInChI=1S/C14H28O2/c1-5-7-12(3)10-14(15)8-9-16-13(4,6-2)11-14/h12,15H,5-11H2,1-4H3
InChIKeyAIODUXDJNVSLAS-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
CID 79734892
2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)pentanoic acid
CID 83043572
4-(difluoromethyl)-2-ethyl-2-methyloxan-4-amine
CID 80605848
4-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 106866348
4-[(2-chloro-3-fluorophenyl)methyl]-2-ethyl-2-methyloxan-4-ol
CID 112653071
3-cyclopropyl-1-(2-methylpentyl)cyclohexan-1-ol
CID 65154059
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
CID 65151311
4-(1-benzothiophen-3-ylmethyl)-2-ethyl-2-methyloxan-4-ol
CID 65149267
3-(2-methylpentyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65145951
2-ethyl-4-methoxy-2-methyloxane-4-carboxylic acid
CID 116769407
4-(bromomethyl)-4-(2-methylpentyl)oxane
CID 66049300
4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79477711

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol?
The IUPAC name of 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol (CID 65149594) is 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol.
What is the SMILES notation for 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol?
The canonical SMILES for 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol is CCCC(C)CC1(O)CCOC(C)(CC)C1.
What is the InChIKey of 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol?
The InChIKey is AIODUXDJNVSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-7-12(3)10-14(15)8-9-16-13(4,6-2)11-14/h12,15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol?
2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(2-methylpentyl)oxan-4-ol is sourced from PubChem (CID 65149594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).