5-hexyl-4-methyloxolan-2-ol

C11H22O2 — CID 14120381

IUPAC5-hexyl-4-methyloxolan-2-ol
SMILESCCCCCCC1OC(O)CC1C
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-12H,3-8H2,1-2H3
InChIKeyMXGMSTVWGMKGHK-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.70
Rot. Bonds5

About 5-hexyl-4-methyloxolan-2-ol

5-hexyl-4-methyloxolan-2-ol (PubChem CID 14120381) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 5-hexyl-4-methyloxolan-2-ol.

Molecular Properties

Compound Name5-hexyl-4-methyloxolan-2-ol
PubChem CID14120381
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name5-hexyl-4-methyloxolan-2-ol
SMILESCCCCCCC1OC(O)CC1C
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-12H,3-8H2,1-2H3
InChIKeyMXGMSTVWGMKGHK-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.70
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

(4S,5S)-5-ethyl-4-methyloxolan-2-ol
CID 59992917
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616
(2S,4R,6S)-6-hexyl-2-methyl-1,3-dioxan-4-ol
CID 10397949
(3S)-2-hexyl-3-methyloxirane
CID 22212703
(3S)-2-heptyl-3-methyloxirane
CID 22212077
(2S,3R)-2-methyl-3-nonyloxirane
CID 71399054
(2R,3S,5S)-5-butoxy-3-methyl-2-pentyloxolane
CID 101097713
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313
4-hexyl-2-methyl-5-octyl-1,3-dioxolane
CID 565977

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-4-methyloxolan-2-ol?
The IUPAC name of 5-hexyl-4-methyloxolan-2-ol (CID 14120381) is 5-hexyl-4-methyloxolan-2-ol.
What is the SMILES notation for 5-hexyl-4-methyloxolan-2-ol?
The canonical SMILES for 5-hexyl-4-methyloxolan-2-ol is CCCCCCC1OC(O)CC1C.
What is the InChIKey of 5-hexyl-4-methyloxolan-2-ol?
The InChIKey is MXGMSTVWGMKGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 5-hexyl-4-methyloxolan-2-ol?
5-hexyl-4-methyloxolan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-4-methyloxolan-2-ol is sourced from PubChem (CID 14120381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).