1-methoxy-3-methylidenepentane

C7H14O — CID 21225231

IUPAC1-methoxy-3-methylidenepentane
SMILESC=C(CC)CCOC
InChIInChI=1S/C7H14O/c1-4-7(2)5-6-8-3/h2,4-6H2,1,3H3
InChIKeyXKIDYHMVZDVDQC-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.99
Rot. Bonds4

About 1-methoxy-3-methylidenepentane

1-methoxy-3-methylidenepentane (PubChem CID 21225231) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-methoxy-3-methylidenepentane.

Molecular Properties

Compound Name1-methoxy-3-methylidenepentane
PubChem CID21225231
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-methoxy-3-methylidenepentane
SMILESC=C(CC)CCOC
InChIInChI=1S/C7H14O/c1-4-7(2)5-6-8-3/h2,4-6H2,1,3H3
InChIKeyXKIDYHMVZDVDQC-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylidenepentane?
The IUPAC name of 1-methoxy-3-methylidenepentane (CID 21225231) is 1-methoxy-3-methylidenepentane.
What is the SMILES notation for 1-methoxy-3-methylidenepentane?
The canonical SMILES for 1-methoxy-3-methylidenepentane is C=C(CC)CCOC.
What is the InChIKey of 1-methoxy-3-methylidenepentane?
The InChIKey is XKIDYHMVZDVDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-7(2)5-6-8-3/h2,4-6H2,1,3H3.
What are the key properties of 1-methoxy-3-methylidenepentane?
1-methoxy-3-methylidenepentane has a molecular weight of 114.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylidenepentane is sourced from PubChem (CID 21225231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).