6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran

C16H30O — CID 143716422

IUPAC6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran
SMILESCCCCCCCC(CC)C1=C(C)CCCO1
InChIInChI=1S/C16H30O/c1-4-6-7-8-9-12-15(5-2)16-14(3)11-10-13-17-16/h15H,4-13H2,1-3H3
InChIKeyBSDQKQQXLFAPIP-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.46
Rot. Bonds8

About 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran

6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran (PubChem CID 143716422) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran
PubChem CID143716422
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran
SMILESCCCCCCCC(CC)C1=C(C)CCCO1
InChIInChI=1S/C16H30O/c1-4-6-7-8-9-12-15(5-2)16-14(3)11-10-13-17-16/h15H,4-13H2,1-3H3
InChIKeyBSDQKQQXLFAPIP-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-thiopyran
CID 143716523
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CID 170312233
ethane;5-methyl-6-octan-2-yl-3,4-dihydro-2H-thiopyran
CID 143716551
2,4-dimethyl-1-undecan-6-ylcycloheptene
CID 123240497
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
4,5-dimethyl-2-nonan-3-ylpyridine
CID 170346032
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
4-decan-3-ylpyrimidine
CID 170150821

Frequently Asked Questions

What is the IUPAC name of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran (CID 143716422) is 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran is CCCCCCCC(CC)C1=C(C)CCCO1.
What is the InChIKey of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran?
The InChIKey is BSDQKQQXLFAPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-4-6-7-8-9-12-15(5-2)16-14(3)11-10-13-17-16/h15H,4-13H2,1-3H3.
What are the key properties of 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran?
6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran has a molecular weight of 238.41 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decan-3-yl-5-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 143716422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).