ethane;2-methyl-5-propylsulfanylpent-2-ene

C11H24S — CID 143651282

IUPACethane;2-methyl-5-propylsulfanylpent-2-ene
SMILESCC.CCCSCCC=C(C)C
InChIInChI=1S/C9H18S.C2H6/c1-4-7-10-8-5-6-9(2)3;1-2/h6H,4-5,7-8H2,1-3H3;1-2H3
InChIKeyLNOLFCZHVUZZMZ-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.51
Rot. Bonds5

About ethane;2-methyl-5-propylsulfanylpent-2-ene

ethane;2-methyl-5-propylsulfanylpent-2-ene (PubChem CID 143651282) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is ethane;2-methyl-5-propylsulfanylpent-2-ene.

Molecular Properties

Compound Nameethane;2-methyl-5-propylsulfanylpent-2-ene
PubChem CID143651282
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Nameethane;2-methyl-5-propylsulfanylpent-2-ene
SMILESCC.CCCSCCC=C(C)C
InChIInChI=1S/C9H18S.C2H6/c1-4-7-10-8-5-6-9(2)3;1-2/h6H,4-5,7-8H2,1-3H3;1-2H3
InChIKeyLNOLFCZHVUZZMZ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.51
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'}

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Related Compounds

ethanol;1-propylsulfanylpropane
CID 175163753
3-methyl-5-propylsulfanylpent-2-ene
CID 90887572
2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol
CID 123332822
2-methylhex-2-ene;oxalonitrile
CID 174896444
(E)-3-methyl-6-propylsulfanylhex-2-ene
CID 173027047
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
N,N-diethyl-4-methylpent-3-en-1-amine
CID 12610282
4-methyl-N-propylpent-3-en-1-amine
CID 62548656
3-propylsulfanyl-1-sulfanylpropan-1-ol
CID 21487432
1-propylsulfanylpropane;trichlorogallane
CID 139244115
5-ethylsulfanyl-2-methylpent-2-enoic acid
CID 57201465
(2E,6E)-1-(2-bromoethylsulfanyl)-3,7,11-trimethyldodeca-2,6,10-triene
CID 71498387

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-propylsulfanylpent-2-ene?
The IUPAC name of ethane;2-methyl-5-propylsulfanylpent-2-ene (CID 143651282) is ethane;2-methyl-5-propylsulfanylpent-2-ene.
What is the SMILES notation for ethane;2-methyl-5-propylsulfanylpent-2-ene?
The canonical SMILES for ethane;2-methyl-5-propylsulfanylpent-2-ene is CC.CCCSCCC=C(C)C.
What is the InChIKey of ethane;2-methyl-5-propylsulfanylpent-2-ene?
The InChIKey is LNOLFCZHVUZZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S.C2H6/c1-4-7-10-8-5-6-9(2)3;1-2/h6H,4-5,7-8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-5-propylsulfanylpent-2-ene?
ethane;2-methyl-5-propylsulfanylpent-2-ene has a molecular weight of 188.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-propylsulfanylpent-2-ene is sourced from PubChem (CID 143651282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).