5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene

C10H16S — CID 166865770

IUPAC5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene
SMILESC=CC(=C)CCSC/C=C\C
InChIInChI=1S/C10H16S/c1-4-6-8-11-9-7-10(3)5-2/h4-6H,2-3,7-9H2,1H3/b6-4-
InChIKeyLKSMUMBRTQHNHH-XQRVVYSFSA-N
MW168.30 g/mol
LogP3.43
Rot. Bonds6

About 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene

5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene (PubChem CID 166865770) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene.

Molecular Properties

Compound Name5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene
PubChem CID166865770
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene
SMILESC=CC(=C)CCSC/C=C\C
InChIInChI=1S/C10H16S/c1-4-6-8-11-9-7-10(3)5-2/h4-6H,2-3,7-9H2,1H3/b6-4-
InChIKeyLKSMUMBRTQHNHH-XQRVVYSFSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-2-enyl]sulfanyl-2-methylbut-1-ene
CID 131239621
(Z)-1-propylsulfanylbut-2-ene
CID 88854090
(E)-1-propylsulfanylbut-2-ene
CID 87100488
2-amino-4-[(E)-but-2-enyl]sulfanylbutanoic acid
CID 60929267
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
3-ethenylocta-1,3,6-triene
CID 151118593
ethyl 3-[3-(but-2-enyldisulfanyl)prop-2-enylsulfanyl]propanoate
CID 57222486
(3E,6Z)-3-propylsulfanylocta-1,3,6-triene
CID 143350458
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
3-methylidenetridec-1-ene
CID 3776253

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene?
The IUPAC name of 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene (CID 166865770) is 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene.
What is the SMILES notation for 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene?
The canonical SMILES for 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene is C=CC(=C)CCSC/C=C\C.
What is the InChIKey of 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene?
The InChIKey is LKSMUMBRTQHNHH-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16S/c1-4-6-8-11-9-7-10(3)5-2/h4-6H,2-3,7-9H2,1H3/b6-4-.
What are the key properties of 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene?
5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene has a molecular weight of 168.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-enyl]sulfanyl-3-methylidenepent-1-ene is sourced from PubChem (CID 166865770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).