2,3,3-trimethylheptadecan-2-ol

C20H42O — CID 19796860

IUPAC2,3,3-trimethylheptadecan-2-ol
SMILESCCCCCCCCCCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C20H42O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20(4,5)21/h21H,6-18H2,1-5H3
InChIKeyRVDZWWHIODAPLZ-UHFFFAOYSA-N
MW298.55 g/mol
LogP6.87
Rot. Bonds14

About 2,3,3-trimethylheptadecan-2-ol

2,3,3-trimethylheptadecan-2-ol (PubChem CID 19796860) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 2,3,3-trimethylheptadecan-2-ol.

Molecular Properties

Compound Name2,3,3-trimethylheptadecan-2-ol
PubChem CID19796860
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name2,3,3-trimethylheptadecan-2-ol
SMILESCCCCCCCCCCCCCCC(C)(C)C(C)(C)O
InChIInChI=1S/C20H42O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20(4,5)21/h21H,6-18H2,1-5H3
InChIKeyRVDZWWHIODAPLZ-UHFFFAOYSA-N
XLogP6.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylheptadecan-2-ol?
The IUPAC name of 2,3,3-trimethylheptadecan-2-ol (CID 19796860) is 2,3,3-trimethylheptadecan-2-ol.
What is the SMILES notation for 2,3,3-trimethylheptadecan-2-ol?
The canonical SMILES for 2,3,3-trimethylheptadecan-2-ol is CCCCCCCCCCCCCCC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3,3-trimethylheptadecan-2-ol?
The InChIKey is RVDZWWHIODAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20(4,5)21/h21H,6-18H2,1-5H3.
What are the key properties of 2,3,3-trimethylheptadecan-2-ol?
2,3,3-trimethylheptadecan-2-ol has a molecular weight of 298.55 g/mol, XLogP of 6.87, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylheptadecan-2-ol is sourced from PubChem (CID 19796860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).