(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene

C14H28S — CID 143802984

IUPAC(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene
SMILESCCC(C)(/C=C\SC(C)(CC)CC)CC
InChIInChI=1S/C14H28S/c1-7-13(5,8-2)11-12-15-14(6,9-3)10-4/h11-12H,7-10H2,1-6H3/b12-11-
InChIKeyLPUPZWADCNWIKX-QXMHVHEDSA-N
MW228.44 g/mol
LogP5.64
Rot. Bonds7

About (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene

(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene (PubChem CID 143802984) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene
PubChem CID143802984
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Name(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene
SMILESCCC(C)(/C=C\SC(C)(CC)CC)CC
InChIInChI=1S/C14H28S/c1-7-13(5,8-2)11-12-15-14(6,9-3)10-4/h11-12H,7-10H2,1-6H3/b12-11-
InChIKeyLPUPZWADCNWIKX-QXMHVHEDSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Thiopyran,3,4-dihydro-4,4-dimethyl-
CID 143055
3,3-Dimethyl-4-[(propan-2-yl)sulfanyl]hexa-1,5-diene
CID 13263818
1-Methylsulfanyl-2,2-bis(prop-2-enyl)pent-4-ene-1-selone
CID 86244053
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2,2-ditert-butyl-3H-thiophene
CID 12386075
3-(4,4-Dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
CID 19043507
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
3-(3,3-Dimethylbutan-2-ylsulfanyl)-4,4-dimethylpent-1-ene
CID 57660039
3,3-di(propan-2-yl)-2H-thiophene
CID 58055896
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924
4,4-Di(propan-2-yl)-2,3-dihydrothiopyran
CID 58055974
tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-lambda4-sulfane
CID 58200092

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene?
The IUPAC name of (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene (CID 143802984) is (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene.
What is the SMILES notation for (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene?
The canonical SMILES for (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene is CCC(C)(/C=C\SC(C)(CC)CC)CC.
What is the InChIKey of (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene?
The InChIKey is LPUPZWADCNWIKX-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H28S/c1-7-13(5,8-2)11-12-15-14(6,9-3)10-4/h11-12H,7-10H2,1-6H3/b12-11-.
What are the key properties of (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene?
(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene has a molecular weight of 228.44 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene is sourced from PubChem (CID 143802984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).