(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene

C8H16S — CID 134980226

IUPAC(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
SMILESC=CC[C@H](C)[C@H](C)SC
InChIInChI=1S/C8H16S/c1-5-6-7(2)8(3)9-4/h5,7-8H,1,6H2,2-4H3/t7-,8-/m0/s1
InChIKeyZOPWMRBSRQEDGS-YUMQZZPRSA-N
MW144.28 g/mol
LogP2.95
Rot. Bonds4

About (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene

(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene (PubChem CID 134980226) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
PubChem CID134980226
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
SMILESC=CC[C@H](C)[C@H](C)SC
InChIInChI=1S/C8H16S/c1-5-6-7(2)8(3)9-4/h5,7-8H,1,6H2,2-4H3/t7-,8-/m0/s1
InChIKeyZOPWMRBSRQEDGS-YUMQZZPRSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butylsulfanyl-2-prop-2-enylpent-4-ene-1-selone
CID 5325632
(E)-1-tert-butylsulfanylhex-1-ene
CID 13468728
6-Tert-butylsulfanylhex-1-ene
CID 12385582
Ethyl hexen-5-yl sulfide
CID 91052023
(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-lambda4-sulfane
CID 123417811
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
3-methyl-3,4-dihydro-2H-thiopyran
CID 14223540
5-Tert-butylsulfanylpent-1-ene
CID 12385581
(E)-1-butylsulfanylhex-1-ene
CID 13468726
3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene
CID 134885469
1-Butylsulfanyl-2-methylpent-4-ene-1-selone
CID 134893977
(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
CID 134996658

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene?
The IUPAC name of (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene (CID 134980226) is (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene.
What is the SMILES notation for (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene?
The canonical SMILES for (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene is C=CC[C@H](C)[C@H](C)SC.
What is the InChIKey of (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene?
The InChIKey is ZOPWMRBSRQEDGS-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16S/c1-5-6-7(2)8(3)9-4/h5,7-8H,1,6H2,2-4H3/t7-,8-/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene?
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene has a molecular weight of 144.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-methylsulfanylhex-1-ene is sourced from PubChem (CID 134980226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).