(1E)-1-butoxycyclooctene

C12H22O — CID 18792050

IUPAC(1E)-1-butoxycyclooctene
SMILESCCCCO/C1=C/CCCCCC1
InChIInChI=1S/C12H22O/c1-2-3-11-13-12-9-7-5-4-6-8-10-12/h9H,2-8,10-11H2,1H3/b12-9+
InChIKeyBFXJPWXSWCVNPL-FMIVXFBMSA-N
MW182.31 g/mol
LogP4.04
Rot. Bonds4

About (1E)-1-butoxycyclooctene

(1E)-1-butoxycyclooctene (PubChem CID 18792050) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1E)-1-butoxycyclooctene.

Molecular Properties

Compound Name(1E)-1-butoxycyclooctene
PubChem CID18792050
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1E)-1-butoxycyclooctene
SMILESCCCCO/C1=C/CCCCCC1
InChIInChI=1S/C12H22O/c1-2-3-11-13-12-9-7-5-4-6-8-10-12/h9H,2-8,10-11H2,1H3/b12-9+
InChIKeyBFXJPWXSWCVNPL-FMIVXFBMSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-butoxycyclooctene?
The IUPAC name of (1E)-1-butoxycyclooctene (CID 18792050) is (1E)-1-butoxycyclooctene.
What is the SMILES notation for (1E)-1-butoxycyclooctene?
The canonical SMILES for (1E)-1-butoxycyclooctene is CCCCO/C1=C/CCCCCC1.
What is the InChIKey of (1E)-1-butoxycyclooctene?
The InChIKey is BFXJPWXSWCVNPL-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-11-13-12-9-7-5-4-6-8-10-12/h9H,2-8,10-11H2,1H3/b12-9+.
What are the key properties of (1E)-1-butoxycyclooctene?
(1E)-1-butoxycyclooctene has a molecular weight of 182.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-butoxycyclooctene is sourced from PubChem (CID 18792050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).