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

C9H16OS — CID 117267677

IUPAC(Z)-5-(thiolan-2-yl)pent-3-en-1-ol
SMILESOCC/C=C\CC1CCCS1
InChIInChI=1S/C9H16OS/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,9-10H,3-8H2/b2-1-
InChIKeyPTACSZBSNUWQRI-UPHRSURJSA-N
MW172.29 g/mol
LogP2.21
Rot. Bonds4

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

(Z)-5-(thiolan-2-yl)pent-3-en-1-ol (PubChem CID 117267677) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is (Z)-5-(thiolan-2-yl)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(thiolan-2-yl)pent-3-en-1-ol
PubChem CID117267677
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name(Z)-5-(thiolan-2-yl)pent-3-en-1-ol
SMILESOCC/C=C\CC1CCCS1
InChIInChI=1S/C9H16OS/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,9-10H,3-8H2/b2-1-
InChIKeyPTACSZBSNUWQRI-UPHRSURJSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(thian-2-yl)acetaldehyde
CID 83815216
methyl (Z)-4-(thian-2-yl)but-2-enoate
CID 117266207
(2R)-2-ethylthiolane
CID 643409
2-(thiolan-2-yl)ethanamine;hydrochloride
CID 53423396
3-(thiolan-2-yl)propanamide
CID 57258272
2,2-difluoro-3-(thiolan-2-yl)propan-1-ol
CID 105440135
3-(thiolan-2-yl)propan-1-amine
CID 83479274
(Z)-5-(1-methylpiperidin-2-yl)pent-3-en-1-ol
CID 117267735
1,1,1-trifluoro-3-(thiolan-2-yl)propan-2-amine
CID 154518540
(Z)-5-(oxolan-3-yl)pent-3-en-1-ol
CID 117267415
2-(thian-2-ylmethylamino)ethanol
CID 80601199
5-(thiolan-2-yl)pentan-2-one
CID 59028149

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(thiolan-2-yl)pent-3-en-1-ol?
The IUPAC name of (Z)-5-(thiolan-2-yl)pent-3-en-1-ol (CID 117267677) is (Z)-5-(thiolan-2-yl)pent-3-en-1-ol.
What is the SMILES notation for (Z)-5-(thiolan-2-yl)pent-3-en-1-ol?
The canonical SMILES for (Z)-5-(thiolan-2-yl)pent-3-en-1-ol is OCC/C=C\CC1CCCS1.
What is the InChIKey of (Z)-5-(thiolan-2-yl)pent-3-en-1-ol?
The InChIKey is PTACSZBSNUWQRI-UPHRSURJSA-N. The full InChI is InChI=1S/C9H16OS/c10-7-3-1-2-5-9-6-4-8-11-9/h1-2,9-10H,3-8H2/b2-1-.
What are the key properties of (Z)-5-(thiolan-2-yl)pent-3-en-1-ol?
(Z)-5-(thiolan-2-yl)pent-3-en-1-ol has a molecular weight of 172.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(thiolan-2-yl)pent-3-en-1-ol is sourced from PubChem (CID 117267677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).