(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol

C8H16OS — CID 14364618

IUPAC(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol
SMILESCC(C)S[C@H](C)/C=C/CO
InChIInChI=1S/C8H16OS/c1-7(2)10-8(3)5-4-6-9/h4-5,7-9H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyJJDBUQSICACPPM-WTSVBCDHSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds4

About (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol

(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol (PubChem CID 14364618) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol
PubChem CID14364618
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol
SMILESCC(C)S[C@H](C)/C=C/CO
InChIInChI=1S/C8H16OS/c1-7(2)10-8(3)5-4-6-9/h4-5,7-9H,6H2,1-3H3/b5-4+/t8-/m1/s1
InChIKeyJJDBUQSICACPPM-WTSVBCDHSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263786
(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
CID 102129766
3-(2-Hydroxy ethylthio)-3-hexene
CID 129809436
2-[(2E,6E,10E)-dodeca-2,6,10-trienyl]sulfanylethanol
CID 13643474
2-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanylethanol
CID 42629848
2-Dodeca-2,6,10-trienylsulfanylethanol
CID 54464560
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(2-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 67962819

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol?
The IUPAC name of (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol (CID 14364618) is (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol?
The canonical SMILES for (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol is CC(C)S[C@H](C)/C=C/CO.
What is the InChIKey of (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol?
The InChIKey is JJDBUQSICACPPM-WTSVBCDHSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)10-8(3)5-4-6-9/h4-5,7-9H,6H2,1-3H3/b5-4+/t8-/m1/s1.
What are the key properties of (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol?
(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol is sourced from PubChem (CID 14364618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).