1-(thian-2-yl)pent-4-en-1-ol

C10H18OS — CID 80622101

IUPAC1-(thian-2-yl)pent-4-en-1-ol
SMILESC=CCCC(O)C1CCCCS1
InChIInChI=1S/C10H18OS/c1-2-3-6-9(11)10-7-4-5-8-12-10/h2,9-11H,1,3-8H2
InChIKeyWGNUWNXZPNVRDG-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(thian-2-yl)pent-4-en-1-ol

1-(thian-2-yl)pent-4-en-1-ol (PubChem CID 80622101) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(thian-2-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(thian-2-yl)pent-4-en-1-ol
PubChem CID80622101
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-(thian-2-yl)pent-4-en-1-ol
SMILESC=CCCC(O)C1CCCCS1
InChIInChI=1S/C10H18OS/c1-2-3-6-9(11)10-7-4-5-8-12-10/h2,9-11H,1,3-8H2
InChIKeyWGNUWNXZPNVRDG-UHFFFAOYSA-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 1-(thian-2-yl)pent-4-en-1-ol?
The IUPAC name of 1-(thian-2-yl)pent-4-en-1-ol (CID 80622101) is 1-(thian-2-yl)pent-4-en-1-ol.
What is the SMILES notation for 1-(thian-2-yl)pent-4-en-1-ol?
The canonical SMILES for 1-(thian-2-yl)pent-4-en-1-ol is C=CCCC(O)C1CCCCS1.
What is the InChIKey of 1-(thian-2-yl)pent-4-en-1-ol?
The InChIKey is WGNUWNXZPNVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-6-9(11)10-7-4-5-8-12-10/h2,9-11H,1,3-8H2.
What are the key properties of 1-(thian-2-yl)pent-4-en-1-ol?
1-(thian-2-yl)pent-4-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 1-(thian-2-yl)pent-4-en-1-ol is sourced from PubChem (CID 80622101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).