4-methyl-3-propan-2-yldec-1-en-4-ol

C14H28O — CID 549831

IUPAC4-methyl-3-propan-2-yldec-1-en-4-ol
SMILESC=CC(C(C)C)C(C)(O)CCCCCC
InChIInChI=1S/C14H28O/c1-6-8-9-10-11-14(5,15)13(7-2)12(3)4/h7,12-13,15H,2,6,8-11H2,1,3-5H3
InChIKeyYLPQNUQZVIIVDX-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.17
Rot. Bonds8

About 4-methyl-3-propan-2-yldec-1-en-4-ol

4-methyl-3-propan-2-yldec-1-en-4-ol (PubChem CID 549831) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yldec-1-en-4-ol.

Molecular Properties

Compound Name4-methyl-3-propan-2-yldec-1-en-4-ol
PubChem CID549831
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-methyl-3-propan-2-yldec-1-en-4-ol
SMILESC=CC(C(C)C)C(C)(O)CCCCCC
InChIInChI=1S/C14H28O/c1-6-8-9-10-11-14(5,15)13(7-2)12(3)4/h7,12-13,15H,2,6,8-11H2,1,3-5H3
InChIKeyYLPQNUQZVIIVDX-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.17
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 4-methyl-3-propan-2-yldec-1-en-4-ol?
The IUPAC name of 4-methyl-3-propan-2-yldec-1-en-4-ol (CID 549831) is 4-methyl-3-propan-2-yldec-1-en-4-ol.
What is the SMILES notation for 4-methyl-3-propan-2-yldec-1-en-4-ol?
The canonical SMILES for 4-methyl-3-propan-2-yldec-1-en-4-ol is C=CC(C(C)C)C(C)(O)CCCCCC.
What is the InChIKey of 4-methyl-3-propan-2-yldec-1-en-4-ol?
The InChIKey is YLPQNUQZVIIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-8-9-10-11-14(5,15)13(7-2)12(3)4/h7,12-13,15H,2,6,8-11H2,1,3-5H3.
What are the key properties of 4-methyl-3-propan-2-yldec-1-en-4-ol?
4-methyl-3-propan-2-yldec-1-en-4-ol has a molecular weight of 212.38 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yldec-1-en-4-ol is sourced from PubChem (CID 549831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).