1,12-bis(prop-2-enoxy)dodecane

C18H34O2 — CID 23117509

IUPAC1,12-bis(prop-2-enoxy)dodecane
SMILESC=CCOCCCCCCCCCCCCOCC=C
InChIInChI=1S/C18H34O2/c1-3-15-19-17-13-11-9-7-5-6-8-10-12-14-18-20-16-4-2/h3-4H,1-2,5-18H2
InChIKeyXJBUBOXYWPMMDW-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.29
Rot. Bonds17

About 1,12-bis(prop-2-enoxy)dodecane

1,12-bis(prop-2-enoxy)dodecane (PubChem CID 23117509) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,12-bis(prop-2-enoxy)dodecane.

Molecular Properties

Compound Name1,12-bis(prop-2-enoxy)dodecane
PubChem CID23117509
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1,12-bis(prop-2-enoxy)dodecane
SMILESC=CCOCCCCCCCCCCCCOCC=C
InChIInChI=1S/C18H34O2/c1-3-15-19-17-13-11-9-7-5-6-8-10-12-14-18-20-16-4-2/h3-4H,1-2,5-18H2
InChIKeyXJBUBOXYWPMMDW-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.29
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'}

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Related Compounds

Allyl n-octyl ether
CID 520600
1-(2-Propenyloxy)heptane
CID 27904
1-(Allyloxy)decane
CID 76802
Allylhexadecyl ether
CID 13037788
1-[2-(Methoxymethyl)prop-2-enoxy]hexadecane
CID 11359333
1-[(2-Methylprop-2-EN-1-YL)oxy]hexadecane
CID 14475897
1-(2-Prop-2-enoxyethoxy)octadecane
CID 159319
Octadecane, 1-(2-propenyloxy)-
CID 10913940
1,10-Diallyloxydecane
CID 11076006
2-Prop-2-enoxyoctane
CID 14970998
3-Nonyloxy-propene
CID 13225457
1,8-Bis(prop-2-enoxy)octane
CID 11492318

Frequently Asked Questions

What is the IUPAC name of 1,12-bis(prop-2-enoxy)dodecane?
The IUPAC name of 1,12-bis(prop-2-enoxy)dodecane (CID 23117509) is 1,12-bis(prop-2-enoxy)dodecane.
What is the SMILES notation for 1,12-bis(prop-2-enoxy)dodecane?
The canonical SMILES for 1,12-bis(prop-2-enoxy)dodecane is C=CCOCCCCCCCCCCCCOCC=C.
What is the InChIKey of 1,12-bis(prop-2-enoxy)dodecane?
The InChIKey is XJBUBOXYWPMMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-15-19-17-13-11-9-7-5-6-8-10-12-14-18-20-16-4-2/h3-4H,1-2,5-18H2.
What are the key properties of 1,12-bis(prop-2-enoxy)dodecane?
1,12-bis(prop-2-enoxy)dodecane has a molecular weight of 282.47 g/mol, XLogP of 5.29, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-bis(prop-2-enoxy)dodecane is sourced from PubChem (CID 23117509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).