(Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene

C14H28OS — CID 13197536

IUPAC(Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene
SMILESCCCCCC(OC)/C(C)=C\SC(C)(C)C
InChIInChI=1S/C14H28OS/c1-7-8-9-10-13(15-6)12(2)11-16-14(3,4)5/h11,13H,7-10H2,1-6H3/b12-11-
InChIKeyQZIMVNVJVPXZFR-QXMHVHEDSA-N
MW244.44 g/mol
LogP5.02
Rot. Bonds7

About (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene

(Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene (PubChem CID 13197536) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene.

Molecular Properties

Compound Name(Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene
PubChem CID13197536
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name(Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene
SMILESCCCCCC(OC)/C(C)=C\SC(C)(C)C
InChIInChI=1S/C14H28OS/c1-7-8-9-10-13(15-6)12(2)11-16-14(3,4)5/h11,13H,7-10H2,1-6H3/b12-11-
InChIKeyQZIMVNVJVPXZFR-QXMHVHEDSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-1-methylidene-4-methylsulfanylcyclohexane
CID 90733120
2-(3,5-Dimethylideneheptan-4-yloxy)ethanethiol
CID 166857452
(E)-1-tert-butylsulfanyl-3-methoxyoct-1-ene
CID 13183466
(Z)-1-tert-butylsulfanyl-3-methoxyoct-1-ene
CID 13183467
1-Tert-butylsulfanyl-3-methoxyoct-1-ene
CID 13197504

Frequently Asked Questions

What is the IUPAC name of (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene?
The IUPAC name of (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene (CID 13197536) is (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene.
What is the SMILES notation for (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene?
The canonical SMILES for (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene is CCCCCC(OC)/C(C)=C\SC(C)(C)C.
What is the InChIKey of (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene?
The InChIKey is QZIMVNVJVPXZFR-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H28OS/c1-7-8-9-10-13(15-6)12(2)11-16-14(3,4)5/h11,13H,7-10H2,1-6H3/b12-11-.
What are the key properties of (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene?
(Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene has a molecular weight of 244.44 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-tert-butylsulfanyl-3-methoxy-2-methyloct-1-ene is sourced from PubChem (CID 13197536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).