1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol

C14H22OS — CID 107012353

IUPAC1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cc(C)c(C)s1
InChIInChI=1S/C14H22OS/c1-4-5-6-7-8-9-13(15)14-10-11(2)12(3)16-14/h4,10,13,15H,1,5-9H2,2-3H3
InChIKeyAACUIPPDLXKAKG-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.53
Rot. Bonds7

About 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol

1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol (PubChem CID 107012353) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol
PubChem CID107012353
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cc(C)c(C)s1
InChIInChI=1S/C14H22OS/c1-4-5-6-7-8-9-13(15)14-10-11(2)12(3)16-14/h4,10,13,15H,1,5-9H2,2-3H3
InChIKeyAACUIPPDLXKAKG-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol (CID 107012353) is 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol?
The InChIKey is AACUIPPDLXKAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-4-5-6-7-8-9-13(15)14-10-11(2)12(3)16-14/h4,10,13,15H,1,5-9H2,2-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol?
1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol has a molecular weight of 238.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol is sourced from PubChem (CID 107012353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).