2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane

C13H24O2 — CID 87085372

IUPAC2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane
SMILESC/C=C\C(CC)CC(C)COCC1CO1
InChIInChI=1S/C13H24O2/c1-4-6-12(5-2)7-11(3)8-14-9-13-10-15-13/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-
InChIKeyFEAPRMGMRJWLRS-XQRVVYSFSA-N
MW212.33 g/mol
LogP3.03
Rot. Bonds8

About 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane

2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane (PubChem CID 87085372) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane
PubChem CID87085372
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane
SMILESC/C=C\C(CC)CC(C)COCC1CO1
InChIInChI=1S/C13H24O2/c1-4-6-12(5-2)7-11(3)8-14-9-13-10-15-13/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-
InChIKeyFEAPRMGMRJWLRS-XQRVVYSFSA-N
XLogP3.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.03
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

2-(3,7-Dimethyloct-6-enoxymethyl)oxirane
CID 15580334
(2S)-2-[(2S)-butan-2-yl]-3-[[(E,7S)-6-fluoro-7-methylnon-4-en-5-yl]oxymethyl]oxirane
CID 163440268
(2R)-2-[(2S)-6-methylhept-5-en-2-yl]oxirane
CID 56642234
[(2R,3R)-3-[(E,2R)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 131248788
2-(2,5-Dimethylhex-4-enyl)oxirane
CID 134923235
(2R,3S)-2-[(2R)-2-methoxypent-4-en-2-yl]-3-methyloxirane
CID 135038883
Oxirane, [(3-cyclohexen-1-ylmethoxy)methyl]-
CID 2771947
[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 14039813
2-Methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane
CID 21195529
2-(2-Cyclohexa-2,4-dien-1-ylethoxymethyl)-3-methyloxirane
CID 22768278
(3-Hex-4-en-2-yloxiran-2-yl)methanol
CID 53644645
2-[(5-Ethylcyclohex-3-en-1-yl)methoxymethyl]oxirane
CID 87085237

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane?
The IUPAC name of 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane (CID 87085372) is 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane is C/C=C\C(CC)CC(C)COCC1CO1.
What is the InChIKey of 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane?
The InChIKey is FEAPRMGMRJWLRS-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-12(5-2)7-11(3)8-14-9-13-10-15-13/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-.
What are the key properties of 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane?
2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane is sourced from PubChem (CID 87085372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).