2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane

C16H30O2 — CID 102392953

IUPAC2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
SMILESCC[C@@H](C)/C=C/CCC[C@H](C)OC1CCCCO1
InChIInChI=1S/C16H30O2/c1-4-14(2)10-6-5-7-11-15(3)18-16-12-8-9-13-17-16/h6,10,14-16H,4-5,7-9,11-13H2,1-3H3/b10-6+/t14-,15+,16?/m1/s1
InChIKeySEDNBXMNWSDHLB-XUXUOXIDSA-N
MW254.41 g/mol
LogP4.69
Rot. Bonds8

About 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane

2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane (PubChem CID 102392953) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
PubChem CID102392953
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
SMILESCC[C@@H](C)/C=C/CCC[C@H](C)OC1CCCCO1
InChIInChI=1S/C16H30O2/c1-4-14(2)10-6-5-7-11-15(3)18-16-12-8-9-13-17-16/h6,10,14-16H,4-5,7-9,11-13H2,1-3H3/b10-6+/t14-,15+,16?/m1/s1
InChIKeySEDNBXMNWSDHLB-XUXUOXIDSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
2-butan-2-yloxyoxane
CID 559028
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334
methyl (E,11R)-11-(oxan-2-yloxy)dodec-2-enoate
CID 10638872
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(E)-2,12-bis(oxan-2-yloxy)dodec-10-en-6-one
CID 102126737
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904

Frequently Asked Questions

What is the IUPAC name of 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane?
The IUPAC name of 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane (CID 102392953) is 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane.
What is the SMILES notation for 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane?
The canonical SMILES for 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane is CC[C@@H](C)/C=C/CCC[C@H](C)OC1CCCCO1.
What is the InChIKey of 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane?
The InChIKey is SEDNBXMNWSDHLB-XUXUOXIDSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-14(2)10-6-5-7-11-15(3)18-16-12-8-9-13-17-16/h6,10,14-16H,4-5,7-9,11-13H2,1-3H3/b10-6+/t14-,15+,16?/m1/s1.
What are the key properties of 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane?
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane has a molecular weight of 254.41 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane is sourced from PubChem (CID 102392953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).