(3R)-3-methoxy-5-methylideneoxepane

C8H14O2 — CID 68652751

IUPAC(3R)-3-methoxy-5-methylideneoxepane
SMILESC=C1CCOC[C@H](OC)C1
InChIInChI=1S/C8H14O2/c1-7-3-4-10-6-8(5-7)9-2/h8H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyICJDMPBURXAQNG-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.37
Rot. Bonds1

About (3R)-3-methoxy-5-methylideneoxepane

(3R)-3-methoxy-5-methylideneoxepane (PubChem CID 68652751) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R)-3-methoxy-5-methylideneoxepane.

Molecular Properties

Compound Name(3R)-3-methoxy-5-methylideneoxepane
PubChem CID68652751
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3R)-3-methoxy-5-methylideneoxepane
SMILESC=C1CCOC[C@H](OC)C1
InChIInChI=1S/C8H14O2/c1-7-3-4-10-6-8(5-7)9-2/h8H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyICJDMPBURXAQNG-MRVPVSSYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-5-methylideneoxepane?
The IUPAC name of (3R)-3-methoxy-5-methylideneoxepane (CID 68652751) is (3R)-3-methoxy-5-methylideneoxepane.
What is the SMILES notation for (3R)-3-methoxy-5-methylideneoxepane?
The canonical SMILES for (3R)-3-methoxy-5-methylideneoxepane is C=C1CCOC[C@H](OC)C1.
What is the InChIKey of (3R)-3-methoxy-5-methylideneoxepane?
The InChIKey is ICJDMPBURXAQNG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-3-4-10-6-8(5-7)9-2/h8H,1,3-6H2,2H3/t8-/m1/s1.
What are the key properties of (3R)-3-methoxy-5-methylideneoxepane?
(3R)-3-methoxy-5-methylideneoxepane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-5-methylideneoxepane is sourced from PubChem (CID 68652751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).