4-(triethoxymethyl)dodecan-4-ol

C19H40O4 — CID 151198690

IUPAC4-(triethoxymethyl)dodecan-4-ol
SMILESCCCCCCCCC(O)(CCC)C(OCC)(OCC)OCC
InChIInChI=1S/C19H40O4/c1-6-11-12-13-14-15-17-18(20,16-7-2)19(21-8-3,22-9-4)23-10-5/h20H,6-17H2,1-5H3
InChIKeyNHWCCHGNDDYLQF-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.03
Rot. Bonds16

About 4-(triethoxymethyl)dodecan-4-ol

4-(triethoxymethyl)dodecan-4-ol (PubChem CID 151198690) has the molecular formula C19H40O4 and a molecular weight of 332.53 g/mol. Its IUPAC name is 4-(triethoxymethyl)dodecan-4-ol.

Molecular Properties

Compound Name4-(triethoxymethyl)dodecan-4-ol
PubChem CID151198690
Molecular FormulaC19H40O4
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Name4-(triethoxymethyl)dodecan-4-ol
SMILESCCCCCCCCC(O)(CCC)C(OCC)(OCC)OCC
InChIInChI=1S/C19H40O4/c1-6-11-12-13-14-15-17-18(20,16-7-2)19(21-8-3,22-9-4)23-10-5/h20H,6-17H2,1-5H3
InChIKeyNHWCCHGNDDYLQF-UHFFFAOYSA-N
XLogP5.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-propyl-4-(triethoxymethyl)dodecane
CID 151365628
2-ethoxytetradecan-2-ol
CID 154401470
ruthenium;1,1,1-triethoxydecane
CID 157324278
3-ethoxy-2-methylundecan-3-ol
CID 141088800
2,2-diethoxynonane
CID 89439020
2-ethoxy-2-methylundecane
CID 150956805
2-benzyl-1-butoxy-1-ethoxy-1-methoxydecan-2-ol
CID 150746744
9-ethylheptadecan-9-ol
CID 86166082
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604
triacontane-1,1,1-triol
CID 87376487

Frequently Asked Questions

What is the IUPAC name of 4-(triethoxymethyl)dodecan-4-ol?
The IUPAC name of 4-(triethoxymethyl)dodecan-4-ol (CID 151198690) is 4-(triethoxymethyl)dodecan-4-ol.
What is the SMILES notation for 4-(triethoxymethyl)dodecan-4-ol?
The canonical SMILES for 4-(triethoxymethyl)dodecan-4-ol is CCCCCCCCC(O)(CCC)C(OCC)(OCC)OCC.
What is the InChIKey of 4-(triethoxymethyl)dodecan-4-ol?
The InChIKey is NHWCCHGNDDYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4/c1-6-11-12-13-14-15-17-18(20,16-7-2)19(21-8-3,22-9-4)23-10-5/h20H,6-17H2,1-5H3.
What are the key properties of 4-(triethoxymethyl)dodecan-4-ol?
4-(triethoxymethyl)dodecan-4-ol has a molecular weight of 332.53 g/mol, XLogP of 5.03, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triethoxymethyl)dodecan-4-ol is sourced from PubChem (CID 151198690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).