2-prop-2-enyloxepane

C9H16O — CID 10920603

IUPAC2-prop-2-enyloxepane
SMILESC=CCC1CCCCCO1
InChIInChI=1S/C9H16O/c1-2-6-9-7-4-3-5-8-10-9/h2,9H,1,3-8H2
InChIKeySLDHIJNJHYVHNA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds2

About 2-prop-2-enyloxepane

2-prop-2-enyloxepane (PubChem CID 10920603) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-prop-2-enyloxepane.

Molecular Properties

Compound Name2-prop-2-enyloxepane
PubChem CID10920603
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-prop-2-enyloxepane
SMILESC=CCC1CCCCCO1
InChIInChI=1S/C9H16O/c1-2-6-9-7-4-3-5-8-10-9/h2,9H,1,3-8H2
InChIKeySLDHIJNJHYVHNA-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7-Octenyl)oxirane
CID 543758
2-(Prop-2-en-1-yl)oxane
CID 10866337
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
4-Methoxy dec-1-ene
CID 11829889
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
2-Dec-9-enyloxirane
CID 22648516
(2R)-2-(Prop-2-en-1-yl)oxane
CID 71368402
(4S)-4-methoxyundec-1-ene
CID 53329273
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2S,5S)-2-pentyl-5-prop-2-enyloxolane
CID 10702595

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloxepane?
The IUPAC name of 2-prop-2-enyloxepane (CID 10920603) is 2-prop-2-enyloxepane.
What is the SMILES notation for 2-prop-2-enyloxepane?
The canonical SMILES for 2-prop-2-enyloxepane is C=CCC1CCCCCO1.
What is the InChIKey of 2-prop-2-enyloxepane?
The InChIKey is SLDHIJNJHYVHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-6-9-7-4-3-5-8-10-9/h2,9H,1,3-8H2.
What are the key properties of 2-prop-2-enyloxepane?
2-prop-2-enyloxepane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloxepane is sourced from PubChem (CID 10920603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).