3-propylhex-1-yn-1-ol

C9H16O — CID 139821029

IUPAC3-propylhex-1-yn-1-ol
SMILESCCCC(C#CO)CCC
InChIInChI=1S/C9H16O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-6H2,1-2H3
InChIKeyRNVPQCBLXGJBSA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.54
Rot. Bonds4

About 3-propylhex-1-yn-1-ol

3-propylhex-1-yn-1-ol (PubChem CID 139821029) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-propylhex-1-yn-1-ol.

Molecular Properties

Compound Name3-propylhex-1-yn-1-ol
PubChem CID139821029
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-propylhex-1-yn-1-ol
SMILESCCCC(C#CO)CCC
InChIInChI=1S/C9H16O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-6H2,1-2H3
InChIKeyRNVPQCBLXGJBSA-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.54
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

2-Cyclohexylethynol
CID 13667928
4-Cyclohexyl-2-methylbut-3-yn-2-ol
CID 23269380
Butylpentynol
CID 129819191
5-Methylnon-2-yn-1-ol
CID 13598005
Methyl-nonin-ol
CID 129634552
Methyl-decin-ol
CID 129634558
3,7,11-Trimethyldodec-1-yn-1-ol
CID 15894901
3,5-Dimethylhex-1-yn-1-ol
CID 18956487
3,7-Dimethyloct-1-yn-1-ol
CID 20441941
Isononynol
CID 20565036
3-Ethyloct-1-yn-1-ol
CID 21116884
2,6,8-Trimethyl-7-propan-2-ylnon-3-yn-2-ol
CID 23561497

Frequently Asked Questions

What is the IUPAC name of 3-propylhex-1-yn-1-ol?
The IUPAC name of 3-propylhex-1-yn-1-ol (CID 139821029) is 3-propylhex-1-yn-1-ol.
What is the SMILES notation for 3-propylhex-1-yn-1-ol?
The canonical SMILES for 3-propylhex-1-yn-1-ol is CCCC(C#CO)CCC.
What is the InChIKey of 3-propylhex-1-yn-1-ol?
The InChIKey is RNVPQCBLXGJBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-9(6-4-2)7-8-10/h9-10H,3-6H2,1-2H3.
What are the key properties of 3-propylhex-1-yn-1-ol?
3-propylhex-1-yn-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhex-1-yn-1-ol is sourced from PubChem (CID 139821029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).