5-propyloct-1-yn-3-ol

C11H20O — CID 175345358

IUPAC5-propyloct-1-yn-3-ol
SMILESC#CC(O)CC(CCC)CCC
InChIInChI=1S/C11H20O/c1-4-7-10(8-5-2)9-11(12)6-3/h3,10-12H,4-5,7-9H2,1-2H3
InChIKeyFOVDBRZJPMJAKJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds6

About 5-propyloct-1-yn-3-ol

5-propyloct-1-yn-3-ol (PubChem CID 175345358) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-propyloct-1-yn-3-ol.

Molecular Properties

Compound Name5-propyloct-1-yn-3-ol
PubChem CID175345358
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-propyloct-1-yn-3-ol
SMILESC#CC(O)CC(CCC)CCC
InChIInChI=1S/C11H20O/c1-4-7-10(8-5-2)9-11(12)6-3/h3,10-12H,4-5,7-9H2,1-2H3
InChIKeyFOVDBRZJPMJAKJ-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-hex-1-yn-3-ol
CID 6999992
(3R,6R)-octa-1,7-diyne-3,6-diol
CID 100939656
5-propoxypent-1-yn-3-ol
CID 105106146
(3S,7S)-nona-1,8-diyne-3,7-diol
CID 10534853
5-ethyl-3-methyloctane-1,1-diol
CID 175418461
ethane;3-propylhexan-1-ol
CID 142096808
pent-4-yne-1,3-diol
CID 46910264
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
hept-1-en-6-yne-3,5-diol
CID 72965032
(2S)-2-hydroxypentanenitrile
CID 12548639
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
6-butyl-4,8-dipropylundecane
CID 158410657

Frequently Asked Questions

What is the IUPAC name of 5-propyloct-1-yn-3-ol?
The IUPAC name of 5-propyloct-1-yn-3-ol (CID 175345358) is 5-propyloct-1-yn-3-ol.
What is the SMILES notation for 5-propyloct-1-yn-3-ol?
The canonical SMILES for 5-propyloct-1-yn-3-ol is C#CC(O)CC(CCC)CCC.
What is the InChIKey of 5-propyloct-1-yn-3-ol?
The InChIKey is FOVDBRZJPMJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-10(8-5-2)9-11(12)6-3/h3,10-12H,4-5,7-9H2,1-2H3.
What are the key properties of 5-propyloct-1-yn-3-ol?
5-propyloct-1-yn-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyloct-1-yn-3-ol is sourced from PubChem (CID 175345358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).