(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol

C14H24OS2 — CID 11086915

IUPAC(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol
SMILESCC(C)=CC[C@@H](O)[C@H](C)CC=C1SCCCS1
InChIInChI=1S/C14H24OS2/c1-11(2)5-7-13(15)12(3)6-8-14-16-9-4-10-17-14/h5,8,12-13,15H,4,6-7,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyIVHOYIXOUHZATA-CHWSQXEVSA-N
MW272.48 g/mol
LogP4.44
Rot. Bonds5

About (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol

(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol (PubChem CID 11086915) has the molecular formula C14H24OS2 and a molecular weight of 272.48 g/mol. Its IUPAC name is (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol
PubChem CID11086915
Molecular FormulaC14H24OS2
Molecular Weight272.48 g/mol
Exact Mass272.13
IUPAC Name(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol
SMILESCC(C)=CC[C@@H](O)[C@H](C)CC=C1SCCCS1
InChIInChI=1S/C14H24OS2/c1-11(2)5-7-13(15)12(3)6-8-14-16-9-4-10-17-14/h5,8,12-13,15H,4,6-7,9-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyIVHOYIXOUHZATA-CHWSQXEVSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 388414
1-(1,3-Dithian-2-ylidene)-2-methyl-3-pentanol
CID 496245
(E,2S,3S)-1-(1,3-dithian-2-yl)-3-methyl-5-tributylstannylhex-4-en-2-ol
CID 134905822
1-(1,3-Dithian-2-yl)-2,6-dimethylhept-5-en-2-ol
CID 134986107
(7-Methyl-1,4-dithiaspiro[4.5]dec-6-en-8-yl)methanol
CID 3398611
1-(3-Methylcyclohex-3-en-1-yl)-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 91464734
1-Cyclopent-2-en-1-yl-2-[dimethyl(methyl)-lambda4-sulfanyl]ethanol
CID 91475778
1-[(7R)-1,4-dithiaspiro[4.5]dec-8-en-7-yl]ethanol
CID 163456874
(2S,3R)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 10104815
(1S,6S)-6-[(1S)-1-(1,3-dithiolan-2-yl)ethyl]cyclohex-3-en-1-ol
CID 10823379
(4R)-5-(1,3-dithian-2-ylidene)-4-methylhexan-2-ol
CID 11241764
(2S,3R)-2-methyl-1-(2-methyl-1,3-dithian-2-yl)hex-5-en-3-ol
CID 12000575

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol?
The IUPAC name of (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol (CID 11086915) is (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol.
What is the SMILES notation for (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol?
The canonical SMILES for (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol is CC(C)=CC[C@@H](O)[C@H](C)CC=C1SCCCS1.
What is the InChIKey of (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol?
The InChIKey is IVHOYIXOUHZATA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H24OS2/c1-11(2)5-7-13(15)12(3)6-8-14-16-9-4-10-17-14/h5,8,12-13,15H,4,6-7,9-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol?
(3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol has a molecular weight of 272.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(1,3-dithian-2-ylidene)-3,7-dimethyloct-6-en-4-ol is sourced from PubChem (CID 11086915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).