4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one

C14H23ClOSn — CID 177438717

IUPAC4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one
SMILESC[Sn](C)(C)/C(=C\CC1C=CC(=O)CC1)CCCl
InChIInChI=1S/C11H14ClO.3CH3.Sn/c12-9-3-1-2-4-10-5-7-11(13)8-6-10;;;;/h2,5,7,10H,3-4,6,8-9H2;3*1H3;
InChIKeyLDSHBVXTTJODHB-UHFFFAOYSA-N
MW361.50 g/mol
LogP4.34
Rot. Bonds5

About 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one

4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one (PubChem CID 177438717) has the molecular formula C14H23ClOSn and a molecular weight of 361.50 g/mol. Its IUPAC name is 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one
PubChem CID177438717
Molecular FormulaC14H23ClOSn
Molecular Weight361.50 g/mol
Exact Mass362.05
IUPAC Name4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one
SMILESC[Sn](C)(C)/C(=C\CC1C=CC(=O)CC1)CCCl
InChIInChI=1S/C11H14ClO.3CH3.Sn/c12-9-3-1-2-4-10-5-7-11(13)8-6-10;;;;/h2,5,7,10H,3-4,6,8-9H2;3*1H3;
InChIKeyLDSHBVXTTJODHB-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one?
The IUPAC name of 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one (CID 177438717) is 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one?
The canonical SMILES for 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one is C[Sn](C)(C)/C(=C\CC1C=CC(=O)CC1)CCCl.
What is the InChIKey of 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one?
The InChIKey is LDSHBVXTTJODHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClO.3CH3.Sn/c12-9-3-1-2-4-10-5-7-11(13)8-6-10;;;;/h2,5,7,10H,3-4,6,8-9H2;3*1H3;.
What are the key properties of 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one?
4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one has a molecular weight of 361.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 177438717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).