2,2,15,15-tetramethylhexadecane-1,1-diol

C20H42O2 — CID 139908955

IUPAC2,2,15,15-tetramethylhexadecane-1,1-diol
SMILESCC(C)(C)CCCCCCCCCCCCC(C)(C)C(O)O
InChIInChI=1S/C20H42O2/c1-19(2,3)16-14-12-10-8-6-7-9-11-13-15-17-20(4,5)18(21)22/h18,21-22H,6-17H2,1-5H3
InChIKeyCCLWHNVPOVDXTB-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.05
Rot. Bonds13

About 2,2,15,15-tetramethylhexadecane-1,1-diol

2,2,15,15-tetramethylhexadecane-1,1-diol (PubChem CID 139908955) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 2,2,15,15-tetramethylhexadecane-1,1-diol.

Molecular Properties

Compound Name2,2,15,15-tetramethylhexadecane-1,1-diol
PubChem CID139908955
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name2,2,15,15-tetramethylhexadecane-1,1-diol
SMILESCC(C)(C)CCCCCCCCCCCCC(C)(C)C(O)O
InChIInChI=1S/C20H42O2/c1-19(2,3)16-14-12-10-8-6-7-9-11-13-15-17-20(4,5)18(21)22/h18,21-22H,6-17H2,1-5H3
InChIKeyCCLWHNVPOVDXTB-UHFFFAOYSA-N
XLogP6.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 154245547
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3,3-dimethylnonan-2-ol
CID 19931299
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
CID 129034366
3,3-dimethyldecan-2-ol
CID 87975868
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172
3-methoxy-2,2,4,4,9,9-hexamethyldecane
CID 58982174
4,4-dimethylhexadecan-3-ol
CID 168719984
9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881
2,2,8,8-tetramethylnonan-4-ol
CID 19931283

Frequently Asked Questions

What is the IUPAC name of 2,2,15,15-tetramethylhexadecane-1,1-diol?
The IUPAC name of 2,2,15,15-tetramethylhexadecane-1,1-diol (CID 139908955) is 2,2,15,15-tetramethylhexadecane-1,1-diol.
What is the SMILES notation for 2,2,15,15-tetramethylhexadecane-1,1-diol?
The canonical SMILES for 2,2,15,15-tetramethylhexadecane-1,1-diol is CC(C)(C)CCCCCCCCCCCCC(C)(C)C(O)O.
What is the InChIKey of 2,2,15,15-tetramethylhexadecane-1,1-diol?
The InChIKey is CCLWHNVPOVDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-19(2,3)16-14-12-10-8-6-7-9-11-13-15-17-20(4,5)18(21)22/h18,21-22H,6-17H2,1-5H3.
What are the key properties of 2,2,15,15-tetramethylhexadecane-1,1-diol?
2,2,15,15-tetramethylhexadecane-1,1-diol has a molecular weight of 314.55 g/mol, XLogP of 6.05, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,15,15-tetramethylhexadecane-1,1-diol is sourced from PubChem (CID 139908955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).