12-pyrrolidin-1-yldodec-1-en-1-ol

C16H31NO — CID 142764005

IUPAC12-pyrrolidin-1-yldodec-1-en-1-ol
SMILESOC=CCCCCCCCCCCN1CCCC1
InChIInChI=1S/C16H31NO/c18-16-12-8-6-4-2-1-3-5-7-9-13-17-14-10-11-15-17/h12,16,18H,1-11,13-15H2
InChIKeyFUQJXNFKODLSCD-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.66
Rot. Bonds11

About 12-pyrrolidin-1-yldodec-1-en-1-ol

12-pyrrolidin-1-yldodec-1-en-1-ol (PubChem CID 142764005) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 12-pyrrolidin-1-yldodec-1-en-1-ol.

Molecular Properties

Compound Name12-pyrrolidin-1-yldodec-1-en-1-ol
PubChem CID142764005
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name12-pyrrolidin-1-yldodec-1-en-1-ol
SMILESOC=CCCCCCCCCCCN1CCCC1
InChIInChI=1S/C16H31NO/c18-16-12-8-6-4-2-1-3-5-7-9-13-17-14-10-11-15-17/h12,16,18H,1-11,13-15H2
InChIKeyFUQJXNFKODLSCD-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-pyrrolidin-1-yldodec-1-en-1-ol?
The IUPAC name of 12-pyrrolidin-1-yldodec-1-en-1-ol (CID 142764005) is 12-pyrrolidin-1-yldodec-1-en-1-ol.
What is the SMILES notation for 12-pyrrolidin-1-yldodec-1-en-1-ol?
The canonical SMILES for 12-pyrrolidin-1-yldodec-1-en-1-ol is OC=CCCCCCCCCCCN1CCCC1.
What is the InChIKey of 12-pyrrolidin-1-yldodec-1-en-1-ol?
The InChIKey is FUQJXNFKODLSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c18-16-12-8-6-4-2-1-3-5-7-9-13-17-14-10-11-15-17/h12,16,18H,1-11,13-15H2.
What are the key properties of 12-pyrrolidin-1-yldodec-1-en-1-ol?
12-pyrrolidin-1-yldodec-1-en-1-ol has a molecular weight of 253.43 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyrrolidin-1-yldodec-1-en-1-ol is sourced from PubChem (CID 142764005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).