2-(5-methylhex-4-enoxymethyl)oxirane

C10H18O2 — CID 57016013

IUPAC2-(5-methylhex-4-enoxymethyl)oxirane
SMILESCC(C)=CCCCOCC1CO1
InChIInChI=1S/C10H18O2/c1-9(2)5-3-4-6-11-7-10-8-12-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyKIBLCHOQHBULLV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds6

About 2-(5-methylhex-4-enoxymethyl)oxirane

2-(5-methylhex-4-enoxymethyl)oxirane (PubChem CID 57016013) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(5-methylhex-4-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(5-methylhex-4-enoxymethyl)oxirane
PubChem CID57016013
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(5-methylhex-4-enoxymethyl)oxirane
SMILESCC(C)=CCCCOCC1CO1
InChIInChI=1S/C10H18O2/c1-9(2)5-3-4-6-11-7-10-8-12-10/h5,10H,3-4,6-8H2,1-2H3
InChIKeyKIBLCHOQHBULLV-UHFFFAOYSA-N
XLogP2.15
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methylhex-4-enoxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[(3,7-Dimethylocta-2,6-dien-1-YL)oxy]methyl}oxirane
CID 54219619
Oxiran-2-ylmethyl 5-methylhept-4-enoate
CID 54277576
2-[4-Methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane
CID 57054436
2-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]oxirane
CID 88010438
(2R)-2-[[(Z)-dec-4-enoxy]methyl]oxirane
CID 88534362
(2S)-2-[[(Z)-dec-4-enoxy]methyl]oxirane
CID 88534365
2-[[(Z)-dec-4-enoxy]methyl]oxirane
CID 88534918
oxiran-2-ylmethyl (E)-5-methylhept-4-enoate
CID 88792736
2-[2-(3-Methylbut-3-enoxy)ethoxymethyl]oxirane
CID 88916378
2-(2-Methylhex-4-enoxymethyl)oxirane
CID 88975741
2-(Hex-4-en-2-yloxymethyl)oxirane
CID 89335517
2-[[(2E,5Z)-4,4,8-trimethylnona-2,5,8-trien-2-yl]oxymethyl]oxirane
CID 89361605

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhex-4-enoxymethyl)oxirane?
The IUPAC name of 2-(5-methylhex-4-enoxymethyl)oxirane (CID 57016013) is 2-(5-methylhex-4-enoxymethyl)oxirane.
What is the SMILES notation for 2-(5-methylhex-4-enoxymethyl)oxirane?
The canonical SMILES for 2-(5-methylhex-4-enoxymethyl)oxirane is CC(C)=CCCCOCC1CO1.
What is the InChIKey of 2-(5-methylhex-4-enoxymethyl)oxirane?
The InChIKey is KIBLCHOQHBULLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-3-4-6-11-7-10-8-12-10/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of 2-(5-methylhex-4-enoxymethyl)oxirane?
2-(5-methylhex-4-enoxymethyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-4-enoxymethyl)oxirane is sourced from PubChem (CID 57016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).