2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane

C11H20O2 — CID 126582391

IUPAC2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane
SMILESC/C=C/CCC(C)COC1(C)CO1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-10(2)8-12-11(3)9-13-11/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyWSMQIFIQHNTQFN-SNAWJCMRSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane

2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane (PubChem CID 126582391) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane
PubChem CID126582391
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane
SMILESC/C=C/CCC(C)COC1(C)CO1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-10(2)8-12-11(3)9-13-11/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyWSMQIFIQHNTQFN-SNAWJCMRSA-N
XLogP2.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methylnon-2-ene
CID 21361194
(E)-3-methyloct-6-en-1-ol
CID 14091580
2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
CID 141395062
(7E)-4-methylnona-1,7-diene
CID 173060914
tetrakis(pent-3-enyl)phosphanium
CID 154314281
hept-5-en-2-amine
CID 72784707
6,7-dimethyloct-2-ene
CID 54205493
2-methylnon-7-en-4-ol
CID 71320713
(E)-2-methylnon-7-en-4-ol
CID 13244820
N,N,6-trimethylundec-9-en-1-amine oxide
CID 54461411
(Z,3R)-3-methylnon-7-en-1-amine
CID 174038917
8-methyltridec-2-ene
CID 154258032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane?
The IUPAC name of 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane (CID 126582391) is 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane.
What is the SMILES notation for 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane?
The canonical SMILES for 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane is C/C=C/CCC(C)COC1(C)CO1.
What is the InChIKey of 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane?
The InChIKey is WSMQIFIQHNTQFN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-10(2)8-12-11(3)9-13-11/h4-5,10H,6-9H2,1-3H3/b5-4+.
What are the key properties of 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane?
2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane is sourced from PubChem (CID 126582391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).