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

C14H24OS2 — CID 11471284

IUPAC(6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol
SMILESC=CCC(C)(O)C[C@@H](C)C(C)=C1SCCCS1
InChIInChI=1S/C14H24OS2/c1-5-7-14(4,15)10-11(2)12(3)13-16-8-6-9-17-13/h5,11,15H,1,6-10H2,2-4H3/t11-,14?/m1/s1
InChIKeyMZBMFCOBBCPWAU-YNODCEANSA-N
MW272.48 g/mol
LogP4.44
Rot. Bonds5

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

(6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol (PubChem CID 11471284) has the molecular formula C14H24OS2 and a molecular weight of 272.48 g/mol. Its IUPAC name is (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol.

Molecular Properties

Compound Name(6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol
PubChem CID11471284
Molecular FormulaC14H24OS2
Molecular Weight272.48 g/mol
Exact Mass272.13
IUPAC Name(6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol
SMILESC=CCC(C)(O)C[C@@H](C)C(C)=C1SCCCS1
InChIInChI=1S/C14H24OS2/c1-5-7-14(4,15)10-11(2)12(3)13-16-8-6-9-17-13/h5,11,15H,1,6-10H2,2-4H3/t11-,14?/m1/s1
InChIKeyMZBMFCOBBCPWAU-YNODCEANSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol?
The IUPAC name of (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol (CID 11471284) is (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol.
What is the SMILES notation for (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol?
The canonical SMILES for (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol is C=CCC(C)(O)C[C@@H](C)C(C)=C1SCCCS1.
What is the InChIKey of (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol?
The InChIKey is MZBMFCOBBCPWAU-YNODCEANSA-N. The full InChI is InChI=1S/C14H24OS2/c1-5-7-14(4,15)10-11(2)12(3)13-16-8-6-9-17-13/h5,11,15H,1,6-10H2,2-4H3/t11-,14?/m1/s1.
What are the key properties of (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol?
(6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-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 (6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol is sourced from PubChem (CID 11471284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).