(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol

C10H17IOS2 — CID 101394706

IUPAC(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol
SMILESC/C=C(\I)CC(O)CC1SCCCS1
InChIInChI=1S/C10H17IOS2/c1-2-8(11)6-9(12)7-10-13-4-3-5-14-10/h2,9-10,12H,3-7H2,1H3/b8-2-
InChIKeyMSNOTKBRYDVLEU-WAPJZHGLSA-N
MW344.28 g/mol
LogP3.66
Rot. Bonds4

About (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol

(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol (PubChem CID 101394706) has the molecular formula C10H17IOS2 and a molecular weight of 344.28 g/mol. Its IUPAC name is (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol
PubChem CID101394706
Molecular FormulaC10H17IOS2
Molecular Weight344.28 g/mol
Exact Mass343.98
IUPAC Name(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol
SMILESC/C=C(\I)CC(O)CC1SCCCS1
InChIInChI=1S/C10H17IOS2/c1-2-8(11)6-9(12)7-10-13-4-3-5-14-10/h2,9-10,12H,3-7H2,1H3/b8-2-
InChIKeyMSNOTKBRYDVLEU-WAPJZHGLSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2S)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 14737996
(1R)-1-[(2S)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 14737997
(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol
CID 15162955
(E)-1-(1,3-dithian-2-yl)hex-4-en-2-ol
CID 101394705
(1S)-1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060179
(1R)-1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060180
(Z)-1-(1,3-dithian-2-yl)-5-iodohept-5-en-3-ol
CID 102352129
(2R)-1-[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]butan-2-ol
CID 102513540

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol?
The IUPAC name of (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol (CID 101394706) is (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol.
What is the SMILES notation for (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol?
The canonical SMILES for (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol is C/C=C(\I)CC(O)CC1SCCCS1.
What is the InChIKey of (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol?
The InChIKey is MSNOTKBRYDVLEU-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H17IOS2/c1-2-8(11)6-9(12)7-10-13-4-3-5-14-10/h2,9-10,12H,3-7H2,1H3/b8-2-.
What are the key properties of (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol?
(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol has a molecular weight of 344.28 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol is sourced from PubChem (CID 101394706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).