lithium 3-methylsulfanylhept-1-ene

C8H15LiS — CID 134900891

IUPAClithium 3-methylsulfanylhept-1-ene
SMILES[H]/[C-]=C\C(CCCC)SC.[Li+]
InChIInChI=1S/C8H15S.Li/c1-4-6-7-8(5-2)9-3;/h2,5,8H,4,6-7H2,1,3H3;/q-1;+1
InChIKeyUPCAVIOBVBCHNK-UHFFFAOYSA-N
MW150.22 g/mol
LogP-0.10
Rot. Bonds5

About lithium 3-methylsulfanylhept-1-ene

lithium 3-methylsulfanylhept-1-ene (PubChem CID 134900891) has the molecular formula C8H15LiS and a molecular weight of 150.22 g/mol. Its IUPAC name is lithium 3-methylsulfanylhept-1-ene.

Molecular Properties

Compound Namelithium 3-methylsulfanylhept-1-ene
PubChem CID134900891
Molecular FormulaC8H15LiS
Molecular Weight150.22 g/mol
Exact Mass150.11
IUPAC Namelithium 3-methylsulfanylhept-1-ene
SMILES[H]/[C-]=C\C(CCCC)SC.[Li+]
InChIInChI=1S/C8H15S.Li/c1-4-6-7-8(5-2)9-3;/h2,5,8H,4,6-7H2,1,3H3;/q-1;+1
InChIKeyUPCAVIOBVBCHNK-UHFFFAOYSA-N
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-iodo-3-methylsulfanylhept-1-ene
CID 11021942
3-methylsulfanylheptane;propane
CID 162726510
2-(methyldisulfanyl)hexane
CID 118070757
lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-ene
CID 10997365
lithium;2-methylpropane;pentane
CID 22145938
3,4-dimethyl-2-methylsulfanyloctane
CID 139468538
copper bis(hex-1-ene)
CID 12525548
icosane-5,10,16-triamine
CID 88870264
azane;5-butyldecane
CID 118324151
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
hexane;methylsulfanylmethane
CID 161474362
magnesium;hex-1-ene;bromide
CID 12590026

Frequently Asked Questions

What is the IUPAC name of lithium 3-methylsulfanylhept-1-ene?
The IUPAC name of lithium 3-methylsulfanylhept-1-ene (CID 134900891) is lithium 3-methylsulfanylhept-1-ene.
What is the SMILES notation for lithium 3-methylsulfanylhept-1-ene?
The canonical SMILES for lithium 3-methylsulfanylhept-1-ene is [H]/[C-]=C\C(CCCC)SC.[Li+].
What is the InChIKey of lithium 3-methylsulfanylhept-1-ene?
The InChIKey is UPCAVIOBVBCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15S.Li/c1-4-6-7-8(5-2)9-3;/h2,5,8H,4,6-7H2,1,3H3;/q-1;+1.
What are the key properties of lithium 3-methylsulfanylhept-1-ene?
lithium 3-methylsulfanylhept-1-ene has a molecular weight of 150.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methylsulfanylhept-1-ene is sourced from PubChem (CID 134900891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).