3,5-bis(2-methylprop-1-enoxymethyl)heptane

C17H32O2 — CID 87658169

IUPAC3,5-bis(2-methylprop-1-enoxymethyl)heptane
SMILESCCC(COC=C(C)C)CC(CC)COC=C(C)C
InChIInChI=1S/C17H32O2/c1-7-16(12-18-10-14(3)4)9-17(8-2)13-19-11-15(5)6/h10-11,16-17H,7-9,12-13H2,1-6H3
InChIKeyBWGLNIAELNKFDQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.31
Rot. Bonds10

About 3,5-bis(2-methylprop-1-enoxymethyl)heptane

3,5-bis(2-methylprop-1-enoxymethyl)heptane (PubChem CID 87658169) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 3,5-bis(2-methylprop-1-enoxymethyl)heptane.

Molecular Properties

Compound Name3,5-bis(2-methylprop-1-enoxymethyl)heptane
PubChem CID87658169
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name3,5-bis(2-methylprop-1-enoxymethyl)heptane
SMILESCCC(COC=C(C)C)CC(CC)COC=C(C)C
InChIInChI=1S/C17H32O2/c1-7-16(12-18-10-14(3)4)9-17(8-2)13-19-11-15(5)6/h10-11,16-17H,7-9,12-13H2,1-6H3
InChIKeyBWGLNIAELNKFDQ-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylprop-1-enoxymethyl)heptane?
The IUPAC name of 3,5-bis(2-methylprop-1-enoxymethyl)heptane (CID 87658169) is 3,5-bis(2-methylprop-1-enoxymethyl)heptane.
What is the SMILES notation for 3,5-bis(2-methylprop-1-enoxymethyl)heptane?
The canonical SMILES for 3,5-bis(2-methylprop-1-enoxymethyl)heptane is CCC(COC=C(C)C)CC(CC)COC=C(C)C.
What is the InChIKey of 3,5-bis(2-methylprop-1-enoxymethyl)heptane?
The InChIKey is BWGLNIAELNKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-7-16(12-18-10-14(3)4)9-17(8-2)13-19-11-15(5)6/h10-11,16-17H,7-9,12-13H2,1-6H3.
What are the key properties of 3,5-bis(2-methylprop-1-enoxymethyl)heptane?
3,5-bis(2-methylprop-1-enoxymethyl)heptane has a molecular weight of 268.44 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylprop-1-enoxymethyl)heptane is sourced from PubChem (CID 87658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).