1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene

C18H28O2S — CID 83926755

IUPAC1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene
SMILESCC/C=C\CC(CCC)c1cccc(S(=O)(=O)CCC)c1
InChIInChI=1S/C18H28O2S/c1-4-7-8-11-16(10-5-2)17-12-9-13-18(15-17)21(19,20)14-6-3/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3/b8-7-
InChIKeySPZMFBMMUMTEKE-FPLPWBNLSA-N
MW308.49 g/mol
LogP5.11
Rot. Bonds9

About 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene

1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene (PubChem CID 83926755) has the molecular formula C18H28O2S and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene.

Molecular Properties

Compound Name1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene
PubChem CID83926755
Molecular FormulaC18H28O2S
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene
SMILESCC/C=C\CC(CCC)c1cccc(S(=O)(=O)CCC)c1
InChIInChI=1S/C18H28O2S/c1-4-7-8-11-16(10-5-2)17-12-9-13-18(15-17)21(19,20)14-6-3/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3/b8-7-
InChIKeySPZMFBMMUMTEKE-FPLPWBNLSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-hex-4-en-2-yl]-3-propylsulfonylbenzene
CID 83926747
1-pent-4-en-2-yl-3-propylsulfonylbenzene
CID 83926744
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
CID 83928970
1-methylsulfonyl-4-[(Z)-non-6-en-4-yl]benzene
CID 83926368
2-amino-1-(3-propylsulfonylphenyl)butane-1,4-diol
CID 83926687
4-(3-ethylsulfonylphenyl)heptan-1-amine
CID 83926542
4-(3-propylsulfonylphenyl)hexane-1,2-diol
CID 83926774
1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
3-hexan-3-yl-N-methylbenzenesulfonamide
CID 139318427
2-[3-(3-propylsulfonylphenyl)butan-2-yl]propane-1,3-diamine
CID 83926715
4-[(Z)-non-6-en-4-yl]aniline
CID 112718062
1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83927236

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene?
The IUPAC name of 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene (CID 83926755) is 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene.
What is the SMILES notation for 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene?
The canonical SMILES for 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene is CC/C=C\CC(CCC)c1cccc(S(=O)(=O)CCC)c1.
What is the InChIKey of 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene?
The InChIKey is SPZMFBMMUMTEKE-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H28O2S/c1-4-7-8-11-16(10-5-2)17-12-9-13-18(15-17)21(19,20)14-6-3/h7-9,12-13,15-16H,4-6,10-11,14H2,1-3H3/b8-7-.
What are the key properties of 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene?
1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene has a molecular weight of 308.49 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-non-6-en-4-yl]-3-propylsulfonylbenzene is sourced from PubChem (CID 83926755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).