3-propan-2-yltridec-1-en-5-ol

C16H32O — CID 19790939

IUPAC3-propan-2-yltridec-1-en-5-ol
SMILESC=CC(CC(O)CCCCCCCC)C(C)C
InChIInChI=1S/C16H32O/c1-5-7-8-9-10-11-12-16(17)13-15(6-2)14(3)4/h6,14-17H,2,5,7-13H2,1,3-4H3
InChIKeyFOGJLEWOFGJZGK-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.95
Rot. Bonds11

About 3-propan-2-yltridec-1-en-5-ol

3-propan-2-yltridec-1-en-5-ol (PubChem CID 19790939) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-propan-2-yltridec-1-en-5-ol.

Molecular Properties

Compound Name3-propan-2-yltridec-1-en-5-ol
PubChem CID19790939
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3-propan-2-yltridec-1-en-5-ol
SMILESC=CC(CC(O)CCCCCCCC)C(C)C
InChIInChI=1S/C16H32O/c1-5-7-8-9-10-11-12-16(17)13-15(6-2)14(3)4/h6,14-17H,2,5,7-13H2,1,3-4H3
InChIKeyFOGJLEWOFGJZGK-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yltridec-1-en-5-ol?
The IUPAC name of 3-propan-2-yltridec-1-en-5-ol (CID 19790939) is 3-propan-2-yltridec-1-en-5-ol.
What is the SMILES notation for 3-propan-2-yltridec-1-en-5-ol?
The canonical SMILES for 3-propan-2-yltridec-1-en-5-ol is C=CC(CC(O)CCCCCCCC)C(C)C.
What is the InChIKey of 3-propan-2-yltridec-1-en-5-ol?
The InChIKey is FOGJLEWOFGJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-5-7-8-9-10-11-12-16(17)13-15(6-2)14(3)4/h6,14-17H,2,5,7-13H2,1,3-4H3.
What are the key properties of 3-propan-2-yltridec-1-en-5-ol?
3-propan-2-yltridec-1-en-5-ol has a molecular weight of 240.43 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yltridec-1-en-5-ol is sourced from PubChem (CID 19790939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).