(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene

C12H22O — CID 12794158

IUPAC(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene
SMILESCC(C)(C)OC1/C=C\CCCCC1
InChIInChI=1S/C12H22O/c1-12(2,3)13-11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-
InChIKeyOTNBPTOQNKZOGW-CLFYSBASSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds1

About (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene

(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene (PubChem CID 12794158) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene.

Molecular Properties

Compound Name(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene
PubChem CID12794158
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene
SMILESCC(C)(C)OC1/C=C\CCCCC1
InChIInChI=1S/C12H22O/c1-12(2,3)13-11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-
InChIKeyOTNBPTOQNKZOGW-CLFYSBASSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene?
The IUPAC name of (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene (CID 12794158) is (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene.
What is the SMILES notation for (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene?
The canonical SMILES for (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene is CC(C)(C)OC1/C=C\CCCCC1.
What is the InChIKey of (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene?
The InChIKey is OTNBPTOQNKZOGW-CLFYSBASSA-N. The full InChI is InChI=1S/C12H22O/c1-12(2,3)13-11-9-7-5-4-6-8-10-11/h7,9,11H,4-6,8,10H2,1-3H3/b9-7-.
What are the key properties of (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene?
(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene has a molecular weight of 182.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene is sourced from PubChem (CID 12794158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).