1,3-bis(prop-1-en-2-yloxy)propane;methane

C11H24O2 — CID 162270596

IUPAC1,3-bis(prop-1-en-2-yloxy)propane;methane
SMILESC.C.C=C(C)OCCCOC(=C)C
InChIInChI=1S/C9H16O2.2CH4/c1-8(2)10-6-5-7-11-9(3)4;;/h1,3,5-7H2,2,4H3;2*1H4
InChIKeyOLLRAENNETYMFL-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.75
Rot. Bonds6

About 1,3-bis(prop-1-en-2-yloxy)propane;methane

1,3-bis(prop-1-en-2-yloxy)propane;methane (PubChem CID 162270596) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yloxy)propane;methane.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yloxy)propane;methane
PubChem CID162270596
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1,3-bis(prop-1-en-2-yloxy)propane;methane
SMILESC.C.C=C(C)OCCCOC(=C)C
InChIInChI=1S/C9H16O2.2CH4/c1-8(2)10-6-5-7-11-9(3)4;;/h1,3,5-7H2,2,4H3;2*1H4
InChIKeyOLLRAENNETYMFL-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nitroso-3-prop-1-en-2-yloxypropane
CID 89423638
1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane
CID 88908375
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357
2-(8-prop-1-en-2-yloxyoctylamino)ethanol
CID 177029653
1,1,1-trifluoro-3-prop-1-en-2-yloxypropane
CID 162573661
2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 175050176
2-(2-prop-1-en-2-yloxyethoxy)ethanol
CID 87206577
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475
dimethoxy-methyl-(2-prop-1-en-2-yloxyethyl)silane
CID 87181274
2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925927
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 139925917
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-en-2-yloxy)propane;methane?
The IUPAC name of 1,3-bis(prop-1-en-2-yloxy)propane;methane (CID 162270596) is 1,3-bis(prop-1-en-2-yloxy)propane;methane.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yloxy)propane;methane?
The canonical SMILES for 1,3-bis(prop-1-en-2-yloxy)propane;methane is C.C.C=C(C)OCCCOC(=C)C.
What is the InChIKey of 1,3-bis(prop-1-en-2-yloxy)propane;methane?
The InChIKey is OLLRAENNETYMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.2CH4/c1-8(2)10-6-5-7-11-9(3)4;;/h1,3,5-7H2,2,4H3;2*1H4.
What are the key properties of 1,3-bis(prop-1-en-2-yloxy)propane;methane?
1,3-bis(prop-1-en-2-yloxy)propane;methane has a molecular weight of 188.31 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yloxy)propane;methane is sourced from PubChem (CID 162270596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).