(1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol

C14H24O2S2 — CID 15441075

IUPAC(1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol
SMILESC/C=C/[C@H](O)CC/C=C\C[C@@H](O)C1SCCCS1
InChIInChI=1S/C14H24O2S2/c1-2-7-12(15)8-4-3-5-9-13(16)14-17-10-6-11-18-14/h2-3,5,7,12-16H,4,6,8-11H2,1H3/b5-3-,7-2+/t12-,13+/m0/s1
InChIKeyYJPGBICQFAFIIJ-PCAXASHSSA-N
MW288.48 g/mol
LogP3.21
Rot. Bonds7

About (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol

(1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol (PubChem CID 15441075) has the molecular formula C14H24O2S2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol.

Molecular Properties

Compound Name(1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol
PubChem CID15441075
Molecular FormulaC14H24O2S2
Molecular Weight288.48 g/mol
Exact Mass288.12
IUPAC Name(1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol
SMILESC/C=C/[C@H](O)CC/C=C\C[C@@H](O)C1SCCCS1
InChIInChI=1S/C14H24O2S2/c1-2-7-12(15)8-4-3-5-9-13(16)14-17-10-6-11-18-14/h2-3,5,7,12-16H,4,6,8-11H2,1H3/b5-3-,7-2+/t12-,13+/m0/s1
InChIKeyYJPGBICQFAFIIJ-PCAXASHSSA-N
XLogP3.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol with MolForge

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Related Compounds

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CID 101120970
(E)-1-[2-(hydroxymethyl)-1,3-dithian-2-yl]-2-methylbut-2-en-1-ol
CID 11356765
(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
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(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
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(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol
CID 135030457
(E)-7-[2-[(1R)-1-hydroxyhexyl]-1,3-dithian-2-yl]hept-4-en-3-ol
CID 135030724
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
6-(4-Hydroxypentylsulfanyl)cyclohexa-2,4-dien-1-ol
CID 138723781
1-(2-Hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol
CID 141332383

Frequently Asked Questions

What is the IUPAC name of (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol?
The IUPAC name of (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol (CID 15441075) is (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol.
What is the SMILES notation for (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol?
The canonical SMILES for (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol is C/C=C/[C@H](O)CC/C=C\C[C@@H](O)C1SCCCS1.
What is the InChIKey of (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol?
The InChIKey is YJPGBICQFAFIIJ-PCAXASHSSA-N. The full InChI is InChI=1S/C14H24O2S2/c1-2-7-12(15)8-4-3-5-9-13(16)14-17-10-6-11-18-14/h2-3,5,7,12-16H,4,6,8-11H2,1H3/b5-3-,7-2+/t12-,13+/m0/s1.
What are the key properties of (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol?
(1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol has a molecular weight of 288.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3Z,7R,8E)-1-(1,3-dithian-2-yl)deca-3,8-diene-1,7-diol is sourced from PubChem (CID 15441075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).