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

C9H18O — CID 153334877

IUPAC2-methyl-1-[(Z)-prop-1-enoxy]pentane
SMILESC/C=C\OCC(C)CCC
InChIInChI=1S/C9H18O/c1-4-6-9(3)8-10-7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-
InChIKeyQKCODIDFALSVIU-ALCCZGGFSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds5

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

2-methyl-1-[(Z)-prop-1-enoxy]pentane (PubChem CID 153334877) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-prop-1-enoxy]pentane.

Molecular Properties

Compound Name2-methyl-1-[(Z)-prop-1-enoxy]pentane
PubChem CID153334877
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-1-[(Z)-prop-1-enoxy]pentane
SMILESC/C=C\OCC(C)CCC
InChIInChI=1S/C9H18O/c1-4-6-9(3)8-10-7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-
InChIKeyQKCODIDFALSVIU-ALCCZGGFSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

(S)-2-Methylbutylpropenylather
CID 129632567
1-Ethenoxy-2-methylpentane
CID 14454734
1-[(E)-prop-1-enoxy]pentane
CID 21446034
3-(4-Methylpentoxymethylidene)pentane
CID 22234790
4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane
CID 22234798
4-Methyl-1-(2-methylprop-1-enoxy)pentane
CID 22234807
1-Ethenoxy-4-methylpentane
CID 22665202
1-Prop-1-enoxypentane
CID 57167055
5-Methyl-1-(5-methylhex-1-enoxy)hex-1-ene
CID 57199286
1-[(Z)-prop-1-enoxy]pentane
CID 88707454
2-methyl-3-[(Z)-prop-1-enoxy]pentane
CID 88960297
6-Methoxy-3-methylhex-1-ene
CID 91145121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(Z)-prop-1-enoxy]pentane?
The IUPAC name of 2-methyl-1-[(Z)-prop-1-enoxy]pentane (CID 153334877) is 2-methyl-1-[(Z)-prop-1-enoxy]pentane.
What is the SMILES notation for 2-methyl-1-[(Z)-prop-1-enoxy]pentane?
The canonical SMILES for 2-methyl-1-[(Z)-prop-1-enoxy]pentane is C/C=C\OCC(C)CCC.
What is the InChIKey of 2-methyl-1-[(Z)-prop-1-enoxy]pentane?
The InChIKey is QKCODIDFALSVIU-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-9(3)8-10-7-5-2/h5,7,9H,4,6,8H2,1-3H3/b7-5-.
What are the key properties of 2-methyl-1-[(Z)-prop-1-enoxy]pentane?
2-methyl-1-[(Z)-prop-1-enoxy]pentane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-prop-1-enoxy]pentane is sourced from PubChem (CID 153334877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).