4-propylhept-2-yn-4-ol

C10H18O — CID 54327279

IUPAC4-propylhept-2-yn-4-ol
SMILESCC#CC(O)(CCC)CCC
InChIInChI=1S/C10H18O/c1-4-7-10(11,8-5-2)9-6-3/h11H,4-5,7-8H2,1-3H3
InChIKeyVVNCQTHWXSYTCP-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds4

About 4-propylhept-2-yn-4-ol

4-propylhept-2-yn-4-ol (PubChem CID 54327279) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-propylhept-2-yn-4-ol.

Molecular Properties

Compound Name4-propylhept-2-yn-4-ol
PubChem CID54327279
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-propylhept-2-yn-4-ol
SMILESCC#CC(O)(CCC)CCC
InChIInChI=1S/C10H18O/c1-4-7-10(11,8-5-2)9-6-3/h11H,4-5,7-8H2,1-3H3
InChIKeyVVNCQTHWXSYTCP-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
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

(4R)-4-methylhept-2-yn-4-ol
CID 7022339
1-propoxybut-2-yne-1,1-diol
CID 141179071
3-aminohex-4-yn-3-ol
CID 172783999
(5S,8R)-5,8-diethyldodec-6-yne-5,8-diol
CID 92529620
butane-1,1,1-triol;hydrochloride
CID 140976874
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
1-bromobut-2-yne-1,1-diol
CID 143710629
4-methylhept-2-yne-1,4-diol
CID 14416471
3-ethylhex-1-en-4-yn-3-ol
CID 154292817
N-(2-methylpentan-2-yl)but-2-ynamide
CID 130683499
2-hydroxy-2-methylpentanenitrile
CID 10898680
1-chloro-1-(dimethylamino)butan-1-ol
CID 88807122

Frequently Asked Questions

What is the IUPAC name of 4-propylhept-2-yn-4-ol?
The IUPAC name of 4-propylhept-2-yn-4-ol (CID 54327279) is 4-propylhept-2-yn-4-ol.
What is the SMILES notation for 4-propylhept-2-yn-4-ol?
The canonical SMILES for 4-propylhept-2-yn-4-ol is CC#CC(O)(CCC)CCC.
What is the InChIKey of 4-propylhept-2-yn-4-ol?
The InChIKey is VVNCQTHWXSYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-7-10(11,8-5-2)9-6-3/h11H,4-5,7-8H2,1-3H3.
What are the key properties of 4-propylhept-2-yn-4-ol?
4-propylhept-2-yn-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylhept-2-yn-4-ol is sourced from PubChem (CID 54327279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).