4-(chloromethoxy)-3-methylpent-1-yne

C7H11ClO — CID 55301342

IUPAC4-(chloromethoxy)-3-methylpent-1-yne
SMILESC#CC(C)C(C)OCCl
InChIInChI=1S/C7H11ClO/c1-4-6(2)7(3)9-5-8/h1,6-7H,5H2,2-3H3
InChIKeyKPYGEZIBOPGQJF-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.86
Rot. Bonds3

About 4-(chloromethoxy)-3-methylpent-1-yne

4-(chloromethoxy)-3-methylpent-1-yne (PubChem CID 55301342) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 4-(chloromethoxy)-3-methylpent-1-yne.

Molecular Properties

Compound Name4-(chloromethoxy)-3-methylpent-1-yne
PubChem CID55301342
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name4-(chloromethoxy)-3-methylpent-1-yne
SMILESC#CC(C)C(C)OCCl
InChIInChI=1S/C7H11ClO/c1-4-6(2)7(3)9-5-8/h1,6-7H,5H2,2-3H3
InChIKeyKPYGEZIBOPGQJF-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethoxy)-1-methoxypropane
CID 79529090
CID 162472049
CID 162472049
1-(chloromethoxy)-N,N-dimethylethanamine
CID 59015298
1-methyl-3-(3-methylpent-4-yn-2-yloxymethyl)-2-(nitrosomethyl)imidazol-1-ium
CID 54196014
3,4,7-trimethyloct-1-yne
CID 123163898
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
(NE)-N-[[1-methyl-3-(3-methylpent-4-yn-2-yloxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 135705477
(5-chloro-3,6-dimethylocta-1,7-diyn-4-yl) dihydrogen phosphate
CID 134279652
3-ethoxy-2-methylbutanenitrile
CID 14922695
2-amino-3-methylpent-4-yn-1-ol
CID 123553773
1-(2-methylpropoxy)prop-2-yn-1-ol
CID 89283914
2-but-3-yn-2-yl-2-methylpropanedioic acid
CID 87459391

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethoxy)-3-methylpent-1-yne?
The IUPAC name of 4-(chloromethoxy)-3-methylpent-1-yne (CID 55301342) is 4-(chloromethoxy)-3-methylpent-1-yne.
What is the SMILES notation for 4-(chloromethoxy)-3-methylpent-1-yne?
The canonical SMILES for 4-(chloromethoxy)-3-methylpent-1-yne is C#CC(C)C(C)OCCl.
What is the InChIKey of 4-(chloromethoxy)-3-methylpent-1-yne?
The InChIKey is KPYGEZIBOPGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-4-6(2)7(3)9-5-8/h1,6-7H,5H2,2-3H3.
What are the key properties of 4-(chloromethoxy)-3-methylpent-1-yne?
4-(chloromethoxy)-3-methylpent-1-yne has a molecular weight of 146.62 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethoxy)-3-methylpent-1-yne is sourced from PubChem (CID 55301342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).