2-methyl-3-[(Z)-prop-1-enoxy]pentane

C9H18O — CID 88960297

IUPAC2-methyl-3-[(Z)-prop-1-enoxy]pentane
SMILESC/C=C\OC(CC)C(C)C
InChIInChI=1S/C9H18O/c1-5-7-10-9(6-2)8(3)4/h5,7-9H,6H2,1-4H3/b7-5-
InChIKeyVNRWXRHXNYEIKT-ALCCZGGFSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 2-methyl-3-[(Z)-prop-1-enoxy]pentane

2-methyl-3-[(Z)-prop-1-enoxy]pentane (PubChem CID 88960297) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-prop-1-enoxy]pentane.

Molecular Properties

Compound Name2-methyl-3-[(Z)-prop-1-enoxy]pentane
PubChem CID88960297
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-3-[(Z)-prop-1-enoxy]pentane
SMILESC/C=C\OC(CC)C(C)C
InChIInChI=1S/C9H18O/c1-5-7-10-9(6-2)8(3)4/h5,7-9H,6H2,1-4H3/b7-5-
InChIKeyVNRWXRHXNYEIKT-ALCCZGGFSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-methyl-3-[(Z)-prop-1-enoxy]pentane?
The IUPAC name of 2-methyl-3-[(Z)-prop-1-enoxy]pentane (CID 88960297) is 2-methyl-3-[(Z)-prop-1-enoxy]pentane.
What is the SMILES notation for 2-methyl-3-[(Z)-prop-1-enoxy]pentane?
The canonical SMILES for 2-methyl-3-[(Z)-prop-1-enoxy]pentane is C/C=C\OC(CC)C(C)C.
What is the InChIKey of 2-methyl-3-[(Z)-prop-1-enoxy]pentane?
The InChIKey is VNRWXRHXNYEIKT-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H18O/c1-5-7-10-9(6-2)8(3)4/h5,7-9H,6H2,1-4H3/b7-5-.
What are the key properties of 2-methyl-3-[(Z)-prop-1-enoxy]pentane?
2-methyl-3-[(Z)-prop-1-enoxy]pentane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-prop-1-enoxy]pentane is sourced from PubChem (CID 88960297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).