hept-1-ene;2-pentyloxirane

C14H28O — CID 161062545

IUPAChept-1-ene;2-pentyloxirane
SMILESC=CCCCCC.CCCCCC1CO1
InChIInChI=1S/C7H14O.C7H14/c1-2-3-4-5-7-6-8-7;1-3-5-7-6-4-2/h7H,2-6H2,1H3;3H,1,4-7H2,2H3
InChIKeyUDOSOZKSJZDLDB-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds8

About hept-1-ene;2-pentyloxirane

hept-1-ene;2-pentyloxirane (PubChem CID 161062545) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is hept-1-ene;2-pentyloxirane.

Molecular Properties

Compound Namehept-1-ene;2-pentyloxirane
PubChem CID161062545
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Namehept-1-ene;2-pentyloxirane
SMILESC=CCCCCC.CCCCCC1CO1
InChIInChI=1S/C7H14O.C7H14/c1-2-3-4-5-7-6-8-7;1-3-5-7-6-4-2/h7H,2-6H2,1H3;3H,1,4-7H2,2H3
InChIKeyUDOSOZKSJZDLDB-UHFFFAOYSA-N
XLogP4.72
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

Oxirane, 5-hexenyl-
CID 29678
(7-Octenyl)oxirane
CID 543758
1-Decene, 10-methoxy-
CID 3085890
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
1-Nonen-3-ol, methyl ether
CID 12563924
4-Methoxy dec-1-ene
CID 11829889
4-Methoxy-1-octene
CID 12657009
3,4-Epoxy-7-octene
CID 162420336
3-Methoxyoct-1-ene
CID 20320211
1-Undecene, 4-methoxy-
CID 10261807

Frequently Asked Questions

What is the IUPAC name of hept-1-ene;2-pentyloxirane?
The IUPAC name of hept-1-ene;2-pentyloxirane (CID 161062545) is hept-1-ene;2-pentyloxirane.
What is the SMILES notation for hept-1-ene;2-pentyloxirane?
The canonical SMILES for hept-1-ene;2-pentyloxirane is C=CCCCCC.CCCCCC1CO1.
What is the InChIKey of hept-1-ene;2-pentyloxirane?
The InChIKey is UDOSOZKSJZDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C7H14/c1-2-3-4-5-7-6-8-7;1-3-5-7-6-4-2/h7H,2-6H2,1H3;3H,1,4-7H2,2H3.
What are the key properties of hept-1-ene;2-pentyloxirane?
hept-1-ene;2-pentyloxirane has a molecular weight of 212.38 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-ene;2-pentyloxirane is sourced from PubChem (CID 161062545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).