1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne

C11H17ClO — CID 11252648

IUPAC1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
SMILESCCCCC#CCOC/C=C\CCl
InChIInChI=1S/C11H17ClO/c1-2-3-4-5-7-10-13-11-8-6-9-12/h6,8H,2-4,9-11H2,1H3/b8-6-
InChIKeyAKSXYJUYDLFRCS-VURMDHGXSA-N
MW200.71 g/mol
LogP2.99
Rot. Bonds6

About 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne

1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne (PubChem CID 11252648) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne.

Molecular Properties

Compound Name1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
PubChem CID11252648
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
SMILESCCCCC#CCOC/C=C\CCl
InChIInChI=1S/C11H17ClO/c1-2-3-4-5-7-10-13-11-8-6-9-12/h6,8H,2-4,9-11H2,1H3/b8-6-
InChIKeyAKSXYJUYDLFRCS-VURMDHGXSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-dec-2-ynoxybut-2-en-1-ol
CID 11345122
(E)-4-dec-2-ynoxybut-2-en-1-ol
CID 11218372
(Z)-1-butoxy-4-chlorobut-2-ene
CID 14686667
(Z)-1-(4-chlorobut-2-ynoxy)-4-methoxybut-2-ene
CID 11074175
pentadeca-5,10-diyne
CID 15530767
1-(2-ethoxyethoxy)oct-2-yne
CID 169324331
diethyl 2-[(Z)-4-chlorobut-2-enyl]-2-hept-2-ynylpropanedioate
CID 102332553
1-chloropentadeca-5,10-diyne
CID 560942
6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
CID 10375034
(Z)-1-chloro-4-(methoxymethoxy)but-2-ene
CID 15327011
tetradeca-4,9-diyne
CID 173328648
1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
CID 10517912

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne?
The IUPAC name of 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne (CID 11252648) is 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne.
What is the SMILES notation for 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne?
The canonical SMILES for 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne is CCCCC#CCOC/C=C\CCl.
What is the InChIKey of 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne?
The InChIKey is AKSXYJUYDLFRCS-VURMDHGXSA-N. The full InChI is InChI=1S/C11H17ClO/c1-2-3-4-5-7-10-13-11-8-6-9-12/h6,8H,2-4,9-11H2,1H3/b8-6-.
What are the key properties of 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne?
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne has a molecular weight of 200.71 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne is sourced from PubChem (CID 11252648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).