2-[(14R)-14-methylhexadec-8-ynoxy]oxane

C22H40O2 — CID 134978260

IUPAC2-[(14R)-14-methylhexadec-8-ynoxy]oxane
SMILESCC[C@@H](C)CCCCC#CCCCCCCCOC1CCCCO1
InChIInChI=1S/C22H40O2/c1-3-21(2)17-13-11-9-7-5-4-6-8-10-12-15-19-23-22-18-14-16-20-24-22/h21-22H,3-4,6,8-20H2,1-2H3/t21-,22?/m1/s1
InChIKeyDTXVPYRHOZDZMV-ZMFCMNQTSA-N
MW336.56 g/mol
LogP6.48
Rot. Bonds13

About 2-[(14R)-14-methylhexadec-8-ynoxy]oxane

2-[(14R)-14-methylhexadec-8-ynoxy]oxane (PubChem CID 134978260) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-[(14R)-14-methylhexadec-8-ynoxy]oxane.

Molecular Properties

Compound Name2-[(14R)-14-methylhexadec-8-ynoxy]oxane
PubChem CID134978260
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name2-[(14R)-14-methylhexadec-8-ynoxy]oxane
SMILESCC[C@@H](C)CCCCC#CCCCCCCCOC1CCCCO1
InChIInChI=1S/C22H40O2/c1-3-21(2)17-13-11-9-7-5-4-6-8-10-12-15-19-23-22-18-14-16-20-24-22/h21-22H,3-4,6,8-20H2,1-2H3/t21-,22?/m1/s1
InChIKeyDTXVPYRHOZDZMV-ZMFCMNQTSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, tetrahydro-2-(9-tetradecyn-1-yloxy)-
CID 89211
2H-Pyran, tetrahydro-2-(11-tetradecyn-1-yloxy)-
CID 116741
Npc98736
CID 543312
2H-Pyran, 2-(8-dodecyn-1-yloxy)tetrahydro-
CID 115835
Tetrahydro-2-(12-pentadecynyloxy)-2H-pyran
CID 41961
Trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane
CID 134904738
Tetrahydropyranyloxypentadec-10-yne
CID 11174315
2-(7-Hexadecynyloxy)-tetrahydropyran
CID 85775336
2-(8-Methylhexacosoxy)oxane
CID 135072287
2H-Pyran, 2-(9-dodecyn-1-yloxy)tetrahydro-
CID 3084948
8-Hexadecyne, 1,1-dimethoxy-14-methyl-
CID 3085527
2H-Pyran, 2-(11,13-hexadecadiyn-1-yloxy)tetrahydro-
CID 3085575

Frequently Asked Questions

What is the IUPAC name of 2-[(14R)-14-methylhexadec-8-ynoxy]oxane?
The IUPAC name of 2-[(14R)-14-methylhexadec-8-ynoxy]oxane (CID 134978260) is 2-[(14R)-14-methylhexadec-8-ynoxy]oxane.
What is the SMILES notation for 2-[(14R)-14-methylhexadec-8-ynoxy]oxane?
The canonical SMILES for 2-[(14R)-14-methylhexadec-8-ynoxy]oxane is CC[C@@H](C)CCCCC#CCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(14R)-14-methylhexadec-8-ynoxy]oxane?
The InChIKey is DTXVPYRHOZDZMV-ZMFCMNQTSA-N. The full InChI is InChI=1S/C22H40O2/c1-3-21(2)17-13-11-9-7-5-4-6-8-10-12-15-19-23-22-18-14-16-20-24-22/h21-22H,3-4,6,8-20H2,1-2H3/t21-,22?/m1/s1.
What are the key properties of 2-[(14R)-14-methylhexadec-8-ynoxy]oxane?
2-[(14R)-14-methylhexadec-8-ynoxy]oxane has a molecular weight of 336.56 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(14R)-14-methylhexadec-8-ynoxy]oxane is sourced from PubChem (CID 134978260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).