(E)-1-propan-2-yloxyhex-2-ene

C9H18O — CID 138967299

IUPAC(E)-1-propan-2-yloxyhex-2-ene
SMILESCCC/C=C/COC(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-7-8-10-9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
InChIKeyIZAADBYMSPPILA-VOTSOKGWSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds5

About (E)-1-propan-2-yloxyhex-2-ene

(E)-1-propan-2-yloxyhex-2-ene (PubChem CID 138967299) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-1-propan-2-yloxyhex-2-ene.

Molecular Properties

Compound Name(E)-1-propan-2-yloxyhex-2-ene
PubChem CID138967299
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-1-propan-2-yloxyhex-2-ene
SMILESCCC/C=C/COC(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-7-8-10-9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
InChIKeyIZAADBYMSPPILA-VOTSOKGWSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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

Cyclopentene, 3,3'-oxybis-
CID 27061
3-Hexene, 1-(2-buten-1-yloxy)-, (3Z)-
CID 89704529
2-Ethoxyhexa-3,5-diene
CID 5352776
2-Methoxypentene-4
CID 5367912
1,6-Octadiene, 8-methoxy-
CID 5362853
2,5-Dihydro-2,5-dimethylfuran
CID 557796
1-Methoxy-2,7-octadiene
CID 535026
(3Z)-1-(2-Buten-1-yloxy)-3-hexene
CID 92033995
2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
CID 73354150
(2S)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600447
(2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600448
1-Methoxy-2-hexene
CID 5366215

Frequently Asked Questions

What is the IUPAC name of (E)-1-propan-2-yloxyhex-2-ene?
The IUPAC name of (E)-1-propan-2-yloxyhex-2-ene (CID 138967299) is (E)-1-propan-2-yloxyhex-2-ene.
What is the SMILES notation for (E)-1-propan-2-yloxyhex-2-ene?
The canonical SMILES for (E)-1-propan-2-yloxyhex-2-ene is CCC/C=C/COC(C)C.
What is the InChIKey of (E)-1-propan-2-yloxyhex-2-ene?
The InChIKey is IZAADBYMSPPILA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-7-8-10-9(2)3/h6-7,9H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of (E)-1-propan-2-yloxyhex-2-ene?
(E)-1-propan-2-yloxyhex-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-propan-2-yloxyhex-2-ene is sourced from PubChem (CID 138967299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).