2-methyl-6-octan-2-yloxan-3-ol

C14H28O2 — CID 146182502

IUPAC2-methyl-6-octan-2-yloxan-3-ol
SMILESCCCCCCC(C)C1CCC(O)C(C)O1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-11(2)14-10-9-13(15)12(3)16-14/h11-15H,4-10H2,1-3H3
InChIKeyVFWHARDSXOKHIE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-6-octan-2-yloxan-3-ol

2-methyl-6-octan-2-yloxan-3-ol (PubChem CID 146182502) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-6-octan-2-yloxan-3-ol.

Molecular Properties

Compound Name2-methyl-6-octan-2-yloxan-3-ol
PubChem CID146182502
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-methyl-6-octan-2-yloxan-3-ol
SMILESCCCCCCC(C)C1CCC(O)C(C)O1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-11(2)14-10-9-13(15)12(3)16-14/h11-15H,4-10H2,1-3H3
InChIKeyVFWHARDSXOKHIE-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
CID 134492565
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
octan-2-ylcyclopropane
CID 18968125
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(3R,4S,5R)-2-docosan-2-yloxane-3,4,5-triol
CID 70482325
(3R,4S,5R)-2-hexadecan-2-yloxane-3,4,5-triol
CID 70482565
2-heptan-2-yloxane
CID 67835602
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
CID 143470723
1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-octan-2-yloxan-3-ol?
The IUPAC name of 2-methyl-6-octan-2-yloxan-3-ol (CID 146182502) is 2-methyl-6-octan-2-yloxan-3-ol.
What is the SMILES notation for 2-methyl-6-octan-2-yloxan-3-ol?
The canonical SMILES for 2-methyl-6-octan-2-yloxan-3-ol is CCCCCCC(C)C1CCC(O)C(C)O1.
What is the InChIKey of 2-methyl-6-octan-2-yloxan-3-ol?
The InChIKey is VFWHARDSXOKHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-11(2)14-10-9-13(15)12(3)16-14/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-6-octan-2-yloxan-3-ol?
2-methyl-6-octan-2-yloxan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-octan-2-yloxan-3-ol is sourced from PubChem (CID 146182502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).