2-[(2S)-2-methylhept-6-enoxy]oxane

C13H24O2 — CID 11252841

IUPAC2-[(2S)-2-methylhept-6-enoxy]oxane
SMILESC=CCCC[C@H](C)COC1CCCCO1
InChIInChI=1S/C13H24O2/c1-3-4-5-8-12(2)11-15-13-9-6-7-10-14-13/h3,12-13H,1,4-11H2,2H3/t12-,13?/m0/s1
InChIKeyOVNBDNLKDHEPQV-UEWDXFNNSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds7

About 2-[(2S)-2-methylhept-6-enoxy]oxane

2-[(2S)-2-methylhept-6-enoxy]oxane (PubChem CID 11252841) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[(2S)-2-methylhept-6-enoxy]oxane.

Molecular Properties

Compound Name2-[(2S)-2-methylhept-6-enoxy]oxane
PubChem CID11252841
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[(2S)-2-methylhept-6-enoxy]oxane
SMILESC=CCCC[C@H](C)COC1CCCCO1
InChIInChI=1S/C13H24O2/c1-3-4-5-8-12(2)11-15-13-9-6-7-10-14-13/h3,12-13H,1,4-11H2,2H3/t12-,13?/m0/s1
InChIKeyOVNBDNLKDHEPQV-UEWDXFNNSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylhept-6-enoxy]oxane?
The IUPAC name of 2-[(2S)-2-methylhept-6-enoxy]oxane (CID 11252841) is 2-[(2S)-2-methylhept-6-enoxy]oxane.
What is the SMILES notation for 2-[(2S)-2-methylhept-6-enoxy]oxane?
The canonical SMILES for 2-[(2S)-2-methylhept-6-enoxy]oxane is C=CCCC[C@H](C)COC1CCCCO1.
What is the InChIKey of 2-[(2S)-2-methylhept-6-enoxy]oxane?
The InChIKey is OVNBDNLKDHEPQV-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-8-12(2)11-15-13-9-6-7-10-14-13/h3,12-13H,1,4-11H2,2H3/t12-,13?/m0/s1.
What are the key properties of 2-[(2S)-2-methylhept-6-enoxy]oxane?
2-[(2S)-2-methylhept-6-enoxy]oxane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylhept-6-enoxy]oxane is sourced from PubChem (CID 11252841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).