6-hexyl-4-methyloxan-2-ol

C12H24O2 — CID 135070133

IUPAC6-hexyl-4-methyloxan-2-ol
SMILESCCCCCCC1CC(C)CC(O)O1
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-11-8-10(2)9-12(13)14-11/h10-13H,3-9H2,1-2H3
InChIKeyDVPBJTVESIAMHT-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.09
Rot. Bonds5

About 6-hexyl-4-methyloxan-2-ol

6-hexyl-4-methyloxan-2-ol (PubChem CID 135070133) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-hexyl-4-methyloxan-2-ol.

Molecular Properties

Compound Name6-hexyl-4-methyloxan-2-ol
PubChem CID135070133
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name6-hexyl-4-methyloxan-2-ol
SMILESCCCCCCC1CC(C)CC(O)O1
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-11-8-10(2)9-12(13)14-11/h10-13H,3-9H2,1-2H3
InChIKeyDVPBJTVESIAMHT-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 6-hexyl-4-methyloxan-2-ol?
The IUPAC name of 6-hexyl-4-methyloxan-2-ol (CID 135070133) is 6-hexyl-4-methyloxan-2-ol.
What is the SMILES notation for 6-hexyl-4-methyloxan-2-ol?
The canonical SMILES for 6-hexyl-4-methyloxan-2-ol is CCCCCCC1CC(C)CC(O)O1.
What is the InChIKey of 6-hexyl-4-methyloxan-2-ol?
The InChIKey is DVPBJTVESIAMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-11-8-10(2)9-12(13)14-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 6-hexyl-4-methyloxan-2-ol?
6-hexyl-4-methyloxan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-4-methyloxan-2-ol is sourced from PubChem (CID 135070133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).