(4S)-oct-1-en-7-yn-4-ol

C8H12O — CID 101065772

IUPAC(4S)-oct-1-en-7-yn-4-ol
SMILESC#CCC[C@H](O)CC=C
InChIInChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h1,4,8-9H,2,5-7H2/t8-/m1/s1
InChIKeyKSWNZTXYXRDYAM-MRVPVSSYSA-N
MW124.18 g/mol
LogP1.34
Rot. Bonds4

About (4S)-oct-1-en-7-yn-4-ol

(4S)-oct-1-en-7-yn-4-ol (PubChem CID 101065772) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (4S)-oct-1-en-7-yn-4-ol.

Molecular Properties

Compound Name(4S)-oct-1-en-7-yn-4-ol
PubChem CID101065772
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(4S)-oct-1-en-7-yn-4-ol
SMILESC#CCC[C@H](O)CC=C
InChIInChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h1,4,8-9H,2,5-7H2/t8-/m1/s1
InChIKeyKSWNZTXYXRDYAM-MRVPVSSYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hex-5-ene-1,3-diol
CID 15626312
nona-1,8-dien-4-ol
CID 14385456
(2R)-1-aminohex-5-yn-2-ol
CID 97030752
(4R)-8-methylnon-1-en-4-ol
CID 11672703
(4R)-dodec-1-en-4-ol
CID 11074077
(3S)-hex-5-en-3-ol
CID 10749148
hex-5-en-3-ol
CID 158321330
non-1-en-8-yn-4-ylhydrazine
CID 105269702
5-hydroxyoct-7-enoic acid
CID 10953792
1-cyclobutylhex-5-yn-2-ol
CID 103170011
1,1,1-trifluorohept-6-yn-3-ol
CID 63657299
(2R,3R)-hept-6-yne-1,2,3-triol
CID 10877233

Frequently Asked Questions

What is the IUPAC name of (4S)-oct-1-en-7-yn-4-ol?
The IUPAC name of (4S)-oct-1-en-7-yn-4-ol (CID 101065772) is (4S)-oct-1-en-7-yn-4-ol.
What is the SMILES notation for (4S)-oct-1-en-7-yn-4-ol?
The canonical SMILES for (4S)-oct-1-en-7-yn-4-ol is C#CCC[C@H](O)CC=C.
What is the InChIKey of (4S)-oct-1-en-7-yn-4-ol?
The InChIKey is KSWNZTXYXRDYAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h1,4,8-9H,2,5-7H2/t8-/m1/s1.
What are the key properties of (4S)-oct-1-en-7-yn-4-ol?
(4S)-oct-1-en-7-yn-4-ol has a molecular weight of 124.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-oct-1-en-7-yn-4-ol is sourced from PubChem (CID 101065772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).