4-propylhept-1-en-4-ol

C10H20O — CID 551382

IUPAC4-propylhept-1-en-4-ol
SMILESC=CCC(O)(CCC)CCC
InChIInChI=1S/C10H20O/c1-4-7-10(11,8-5-2)9-6-3/h4,11H,1,5-9H2,2-3H3
InChIKeyRLUDGGHEFUDPLJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds6

About 4-propylhept-1-en-4-ol

4-propylhept-1-en-4-ol (PubChem CID 551382) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-propylhept-1-en-4-ol.

Molecular Properties

Compound Name4-propylhept-1-en-4-ol
PubChem CID551382
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-propylhept-1-en-4-ol
SMILESC=CCC(O)(CCC)CCC
InChIInChI=1S/C10H20O/c1-4-7-10(11,8-5-2)9-6-3/h4,11H,1,5-9H2,2-3H3
InChIKeyRLUDGGHEFUDPLJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propylhept-1-en-4-ol?
The IUPAC name of 4-propylhept-1-en-4-ol (CID 551382) is 4-propylhept-1-en-4-ol.
What is the SMILES notation for 4-propylhept-1-en-4-ol?
The canonical SMILES for 4-propylhept-1-en-4-ol is C=CCC(O)(CCC)CCC.
What is the InChIKey of 4-propylhept-1-en-4-ol?
The InChIKey is RLUDGGHEFUDPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-7-10(11,8-5-2)9-6-3/h4,11H,1,5-9H2,2-3H3.
What are the key properties of 4-propylhept-1-en-4-ol?
4-propylhept-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylhept-1-en-4-ol is sourced from PubChem (CID 551382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).