1-chlorohex-5-ynylcyclopropane

C9H13Cl — CID 64507763

IUPAC1-chlorohex-5-ynylcyclopropane
SMILESC#CCCCC(Cl)C1CC1
InChIInChI=1S/C9H13Cl/c1-2-3-4-5-9(10)8-6-7-8/h1,8-9H,3-7H2
InChIKeyIHELYXQXMUJZHZ-UHFFFAOYSA-N
MW156.66 g/mol
LogP2.81
Rot. Bonds4

About 1-chlorohex-5-ynylcyclopropane

1-chlorohex-5-ynylcyclopropane (PubChem CID 64507763) has the molecular formula C9H13Cl and a molecular weight of 156.66 g/mol. Its IUPAC name is 1-chlorohex-5-ynylcyclopropane.

Molecular Properties

Compound Name1-chlorohex-5-ynylcyclopropane
PubChem CID64507763
Molecular FormulaC9H13Cl
Molecular Weight156.66 g/mol
Exact Mass156.07
IUPAC Name1-chlorohex-5-ynylcyclopropane
SMILESC#CCCCC(Cl)C1CC1
InChIInChI=1S/C9H13Cl/c1-2-3-4-5-9(10)8-6-7-8/h1,8-9H,3-7H2
InChIKeyIHELYXQXMUJZHZ-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.66
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyloct-7-yn-3-ylhydrazine
CID 105333373
1-cyclopropyl-1-ethoxyhept-6-yn-2-ol
CID 116712756
1-cycloheptylhept-6-yn-2-amine
CID 105034110
1-(thiolan-3-yl)hex-5-ynylhydrazine
CID 105333543
19,19-dichlorononadec-1-yne
CID 88635184
1-(4-ethylcyclohexyl)hex-5-ynylhydrazine
CID 105231468
1-(4-butylcyclohexyl)hex-5-yn-1-ol
CID 115831781
[1-chloro-4-(3-methylbutoxy)butyl]cyclopropane
CID 63358311
1-(7-bicyclo[4.1.0]heptanyl)hex-5-yn-1-amine
CID 105034183
(1-chloro-5-methylsulfonylpentyl)cyclopropane
CID 63357814
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116722520

Frequently Asked Questions

What is the IUPAC name of 1-chlorohex-5-ynylcyclopropane?
The IUPAC name of 1-chlorohex-5-ynylcyclopropane (CID 64507763) is 1-chlorohex-5-ynylcyclopropane.
What is the SMILES notation for 1-chlorohex-5-ynylcyclopropane?
The canonical SMILES for 1-chlorohex-5-ynylcyclopropane is C#CCCCC(Cl)C1CC1.
What is the InChIKey of 1-chlorohex-5-ynylcyclopropane?
The InChIKey is IHELYXQXMUJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl/c1-2-3-4-5-9(10)8-6-7-8/h1,8-9H,3-7H2.
What are the key properties of 1-chlorohex-5-ynylcyclopropane?
1-chlorohex-5-ynylcyclopropane has a molecular weight of 156.66 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohex-5-ynylcyclopropane is sourced from PubChem (CID 64507763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).