3,7,11-trimethyldodec-1-en-3-ol

C15H30O — CID 528824

IUPAC3,7,11-trimethyldodec-1-en-3-ol
SMILESC=CC(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H30O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,13-14,16H,1,7-12H2,2-5H3
InChIKeyXLIJOVLDKFATNT-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.56
Rot. Bonds9

About 3,7,11-trimethyldodec-1-en-3-ol

3,7,11-trimethyldodec-1-en-3-ol (PubChem CID 528824) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3,7,11-trimethyldodec-1-en-3-ol.

Molecular Properties

Compound Name3,7,11-trimethyldodec-1-en-3-ol
PubChem CID528824
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3,7,11-trimethyldodec-1-en-3-ol
SMILESC=CC(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H30O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,13-14,16H,1,7-12H2,2-5H3
InChIKeyXLIJOVLDKFATNT-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.56
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 3,7,11-trimethyldodec-1-en-3-ol?
The IUPAC name of 3,7,11-trimethyldodec-1-en-3-ol (CID 528824) is 3,7,11-trimethyldodec-1-en-3-ol.
What is the SMILES notation for 3,7,11-trimethyldodec-1-en-3-ol?
The canonical SMILES for 3,7,11-trimethyldodec-1-en-3-ol is C=CC(C)(O)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11-trimethyldodec-1-en-3-ol?
The InChIKey is XLIJOVLDKFATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,13-14,16H,1,7-12H2,2-5H3.
What are the key properties of 3,7,11-trimethyldodec-1-en-3-ol?
3,7,11-trimethyldodec-1-en-3-ol has a molecular weight of 226.40 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodec-1-en-3-ol is sourced from PubChem (CID 528824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).