2-ethyltetradecane-1,1-diol

C16H34O2 — CID 123855382

IUPAC2-ethyltetradecane-1,1-diol
SMILESCCCCCCCCCCCCC(CC)C(O)O
InChIInChI=1S/C16H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)16(17)18/h15-18H,3-14H2,1-2H3
InChIKeyFZLHDASOUAVTMS-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.63
Rot. Bonds13

About 2-ethyltetradecane-1,1-diol

2-ethyltetradecane-1,1-diol (PubChem CID 123855382) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-ethyltetradecane-1,1-diol.

Molecular Properties

Compound Name2-ethyltetradecane-1,1-diol
PubChem CID123855382
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2-ethyltetradecane-1,1-diol
SMILESCCCCCCCCCCCCC(CC)C(O)O
InChIInChI=1S/C16H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)16(17)18/h15-18H,3-14H2,1-2H3
InChIKeyFZLHDASOUAVTMS-UHFFFAOYSA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.63
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

2-ethylheptane-1,1-diol
CID 54525502
9,10-diethyloctadecane
CID 530164
6-ethyloctadecan-7-ol
CID 22321194
7-ethylpentadecan-8-ol
CID 91407819
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
4-ethylnonan-3-ol
CID 135150430
5-butyl-6-ethyldodecane
CID 529932
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
4-ethylnonadecane-1,3-diol
CID 57082750

Frequently Asked Questions

What is the IUPAC name of 2-ethyltetradecane-1,1-diol?
The IUPAC name of 2-ethyltetradecane-1,1-diol (CID 123855382) is 2-ethyltetradecane-1,1-diol.
What is the SMILES notation for 2-ethyltetradecane-1,1-diol?
The canonical SMILES for 2-ethyltetradecane-1,1-diol is CCCCCCCCCCCCC(CC)C(O)O.
What is the InChIKey of 2-ethyltetradecane-1,1-diol?
The InChIKey is FZLHDASOUAVTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)16(17)18/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-ethyltetradecane-1,1-diol?
2-ethyltetradecane-1,1-diol has a molecular weight of 258.45 g/mol, XLogP of 4.63, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyltetradecane-1,1-diol is sourced from PubChem (CID 123855382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).