CID 134858629

C9H15O2 — CID 134858629

IUPAC—
SMILES[CH2]C1(OCC=C)CCCCO1
InChIInChI=1S/C9H15O2/c1-3-7-10-9(2)6-4-5-8-11-9/h3H,1-2,4-8H2
InChIKeyRJJOAFQRJKFGFD-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.92
Rot. Bonds3

About CID 134858629

CID 134858629 (PubChem CID 134858629) has the molecular formula C9H15O2 and a molecular weight of 155.22 g/mol.

Molecular Properties

Compound NameCID 134858629
PubChem CID134858629
Molecular FormulaC9H15O2
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name—
SMILES[CH2]C1(OCC=C)CCCCO1
InChIInChI=1S/C9H15O2/c1-3-7-10-9(2)6-4-5-8-11-9/h3H,1-2,4-8H2
InChIKeyRJJOAFQRJKFGFD-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Allyloxytetrahydropyran
CID 4532059
(2S)-2-prop-2-enoxyoxane
CID 7033617
1,1-Bis[(prop-2-en-1-yl)oxy]cyclohexane
CID 10867252
2-(Bromomethyl)-2-prop-2-enoxyoxane
CID 134858538
(2S)-2-(bromomethyl)-2-prop-2-enoxyoxane
CID 134858548
2-Ethenyl-6-methoxyoxane
CID 85777475
(2R,6R)-2-ethenyl-6-methoxyoxane
CID 144009148
2-Ethenyl-2-methoxyoxane
CID 158552040
2-(1,1-Dideuterioprop-2-enoxy)oxane
CID 170556312
(2R)-2-prop-2-enoxyoxane
CID 7016869
CID 101206988
CID 101206988

Frequently Asked Questions

What is the IUPAC name of CID 134858629?
The IUPAC name of CID 134858629 (CID 134858629) is not available.
What is the SMILES notation for CID 134858629?
The canonical SMILES for CID 134858629 is [CH2]C1(OCC=C)CCCCO1.
What is the InChIKey of CID 134858629?
The InChIKey is RJJOAFQRJKFGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2/c1-3-7-10-9(2)6-4-5-8-11-9/h3H,1-2,4-8H2.
What are the key properties of CID 134858629?
CID 134858629 has a molecular weight of 155.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134858629 is sourced from PubChem (CID 134858629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).