dec-8-ene-1-thiol

C10H20S — CID 90992267

IUPACdec-8-ene-1-thiol
SMILESCC=CCCCCCCCS
InChIInChI=1S/C10H20S/c1-2-3-4-5-6-7-8-9-10-11/h2-3,11H,4-10H2,1H3
InChIKeyRUGLORXTFNMYOW-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.83
Rot. Bonds7

About dec-8-ene-1-thiol

dec-8-ene-1-thiol (PubChem CID 90992267) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is dec-8-ene-1-thiol.

Molecular Properties

Compound Namedec-8-ene-1-thiol
PubChem CID90992267
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Namedec-8-ene-1-thiol
SMILESCC=CCCCCCCCS
InChIInChI=1S/C10H20S/c1-2-3-4-5-6-7-8-9-10-11/h2-3,11H,4-10H2,1H3
InChIKeyRUGLORXTFNMYOW-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
hexadec-11-ene-1-thiol
CID 54519203
pent-3-ene-1-thiol
CID 54343601
(Z)-icos-2-ene
CID 5352524
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
octadeca-2,10-diene
CID 54270716
10-chlorodec-2-ene
CID 54299561
12-chlorododec-2-ene
CID 56977389
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
(E)-tetradec-12-enal
CID 5353009

Frequently Asked Questions

What is the IUPAC name of dec-8-ene-1-thiol?
The IUPAC name of dec-8-ene-1-thiol (CID 90992267) is dec-8-ene-1-thiol.
What is the SMILES notation for dec-8-ene-1-thiol?
The canonical SMILES for dec-8-ene-1-thiol is CC=CCCCCCCCS.
What is the InChIKey of dec-8-ene-1-thiol?
The InChIKey is RUGLORXTFNMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-2-3-4-5-6-7-8-9-10-11/h2-3,11H,4-10H2,1H3.
What are the key properties of dec-8-ene-1-thiol?
dec-8-ene-1-thiol has a molecular weight of 172.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-8-ene-1-thiol is sourced from PubChem (CID 90992267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).