2-(6-methylhepta-1,5-dien-2-yl)oxirane

C10H16O — CID 10877318

IUPAC2-(6-methylhepta-1,5-dien-2-yl)oxirane
SMILESC=C(CCC=C(C)C)C1CO1
InChIInChI=1S/C10H16O/c1-8(2)5-4-6-9(3)10-7-11-10/h5,10H,3-4,6-7H2,1-2H3
InChIKeyFSMDIGOYOZZJQT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds4

About 2-(6-methylhepta-1,5-dien-2-yl)oxirane

2-(6-methylhepta-1,5-dien-2-yl)oxirane (PubChem CID 10877318) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(6-methylhepta-1,5-dien-2-yl)oxirane.

Molecular Properties

Compound Name2-(6-methylhepta-1,5-dien-2-yl)oxirane
PubChem CID10877318
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(6-methylhepta-1,5-dien-2-yl)oxirane
SMILESC=C(CCC=C(C)C)C1CO1
InChIInChI=1S/C10H16O/c1-8(2)5-4-6-9(3)10-7-11-10/h5,10H,3-4,6-7H2,1-2H3
InChIKeyFSMDIGOYOZZJQT-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
Cyclohexenyl oxirane
CID 10931430
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
Farnesene epoxide, E-
CID 5362910
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
4-methyl-6-(3-methylbut-3-enyl)-3,6-dihydro-2H-pyran
CID 12576399
(E)-2-(4,8-Dimethylnona-3,7-dien-1-yl)-2-vinyloxirane
CID 60147483
(E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)oxirane
CID 87569587
(2S)-2-(2-methylprop-1-enyl)oxane
CID 89005709
3h-Styrene oxide
CID 89194236
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (S)-
CID 92256313

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylhepta-1,5-dien-2-yl)oxirane?
The IUPAC name of 2-(6-methylhepta-1,5-dien-2-yl)oxirane (CID 10877318) is 2-(6-methylhepta-1,5-dien-2-yl)oxirane.
What is the SMILES notation for 2-(6-methylhepta-1,5-dien-2-yl)oxirane?
The canonical SMILES for 2-(6-methylhepta-1,5-dien-2-yl)oxirane is C=C(CCC=C(C)C)C1CO1.
What is the InChIKey of 2-(6-methylhepta-1,5-dien-2-yl)oxirane?
The InChIKey is FSMDIGOYOZZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)5-4-6-9(3)10-7-11-10/h5,10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(6-methylhepta-1,5-dien-2-yl)oxirane?
2-(6-methylhepta-1,5-dien-2-yl)oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylhepta-1,5-dien-2-yl)oxirane is sourced from PubChem (CID 10877318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).