(2S)-2-hept-6-en-2-yloxyoxane

C12H22O2 — CID 139755185

IUPAC(2S)-2-hept-6-en-2-yloxyoxane
SMILESC=CCCCC(C)O[C@H]1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-4-5-8-11(2)14-12-9-6-7-10-13-12/h3,11-12H,1,4-10H2,2H3/t11?,12-/m0/s1
InChIKeyLMDFFMMHURVNOY-KIYNQFGBSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds6

About (2S)-2-hept-6-en-2-yloxyoxane

(2S)-2-hept-6-en-2-yloxyoxane (PubChem CID 139755185) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-hept-6-en-2-yloxyoxane.

Molecular Properties

Compound Name(2S)-2-hept-6-en-2-yloxyoxane
PubChem CID139755185
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S)-2-hept-6-en-2-yloxyoxane
SMILESC=CCCCC(C)O[C@H]1CCCCO1
InChIInChI=1S/C12H22O2/c1-3-4-5-8-11(2)14-12-9-6-7-10-13-12/h3,11-12H,1,4-10H2,2H3/t11?,12-/m0/s1
InChIKeyLMDFFMMHURVNOY-KIYNQFGBSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.27
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

2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
3-(oxan-2-yloxy)oct-7-enenitrile
CID 23468091
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(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
2-butan-2-yloxyoxane
CID 559028
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hept-6-en-2-yloxyoxane?
The IUPAC name of (2S)-2-hept-6-en-2-yloxyoxane (CID 139755185) is (2S)-2-hept-6-en-2-yloxyoxane.
What is the SMILES notation for (2S)-2-hept-6-en-2-yloxyoxane?
The canonical SMILES for (2S)-2-hept-6-en-2-yloxyoxane is C=CCCCC(C)O[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-hept-6-en-2-yloxyoxane?
The InChIKey is LMDFFMMHURVNOY-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-8-11(2)14-12-9-6-7-10-13-12/h3,11-12H,1,4-10H2,2H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-hept-6-en-2-yloxyoxane?
(2S)-2-hept-6-en-2-yloxyoxane has a molecular weight of 198.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hept-6-en-2-yloxyoxane is sourced from PubChem (CID 139755185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).