(Z)-5-(thian-2-yl)pent-3-en-1-ol

C10H18OS — CID 117267733

IUPAC(Z)-5-(thian-2-yl)pent-3-en-1-ol
SMILESOCC/C=C\CC1CCCCS1
InChIInChI=1S/C10H18OS/c11-8-4-1-2-6-10-7-3-5-9-12-10/h1-2,10-11H,3-9H2/b2-1-
InChIKeyQEMVZFVQARJPER-UPHRSURJSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds4

About (Z)-5-(thian-2-yl)pent-3-en-1-ol

(Z)-5-(thian-2-yl)pent-3-en-1-ol (PubChem CID 117267733) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (Z)-5-(thian-2-yl)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(thian-2-yl)pent-3-en-1-ol
PubChem CID117267733
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(Z)-5-(thian-2-yl)pent-3-en-1-ol
SMILESOCC/C=C\CC1CCCCS1
InChIInChI=1S/C10H18OS/c11-8-4-1-2-6-10-7-3-5-9-12-10/h1-2,10-11H,3-9H2/b2-1-
InChIKeyQEMVZFVQARJPER-UPHRSURJSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(thian-2-yl)pent-3-en-1-ol?
The IUPAC name of (Z)-5-(thian-2-yl)pent-3-en-1-ol (CID 117267733) is (Z)-5-(thian-2-yl)pent-3-en-1-ol.
What is the SMILES notation for (Z)-5-(thian-2-yl)pent-3-en-1-ol?
The canonical SMILES for (Z)-5-(thian-2-yl)pent-3-en-1-ol is OCC/C=C\CC1CCCCS1.
What is the InChIKey of (Z)-5-(thian-2-yl)pent-3-en-1-ol?
The InChIKey is QEMVZFVQARJPER-UPHRSURJSA-N. The full InChI is InChI=1S/C10H18OS/c11-8-4-1-2-6-10-7-3-5-9-12-10/h1-2,10-11H,3-9H2/b2-1-.
What are the key properties of (Z)-5-(thian-2-yl)pent-3-en-1-ol?
(Z)-5-(thian-2-yl)pent-3-en-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(thian-2-yl)pent-3-en-1-ol is sourced from PubChem (CID 117267733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).