3-ethoxy-2,2-dimethyldecan-4-ol

C14H30O2 — CID 116713288

IUPAC3-ethoxy-2,2-dimethyldecan-4-ol
SMILESCCCCCCC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C14H30O2/c1-6-8-9-10-11-12(15)13(16-7-2)14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyMMVXRQWWRYEFQK-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.77
Rot. Bonds8

About 3-ethoxy-2,2-dimethyldecan-4-ol

3-ethoxy-2,2-dimethyldecan-4-ol (PubChem CID 116713288) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyldecan-4-ol.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyldecan-4-ol
PubChem CID116713288
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3-ethoxy-2,2-dimethyldecan-4-ol
SMILESCCCCCCC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C14H30O2/c1-6-8-9-10-11-12(15)13(16-7-2)14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyMMVXRQWWRYEFQK-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329
2,2-dimethylhexadecane-3,4-diol
CID 103457111
4-ethoxydodecan-5-ol
CID 116711346
nonacosane-14,15-diol
CID 91509633
1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
CID 116713486
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
2-tert-butyloctadecane-1,3-diol
CID 137437929
1-cyclopropyl-1-ethoxytetradecan-2-ol
CID 116712966
pentadecane-4,5-diol
CID 103454846
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
2-methyldodecane-3,4-diol
CID 103456553
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyldecan-4-ol?
The IUPAC name of 3-ethoxy-2,2-dimethyldecan-4-ol (CID 116713288) is 3-ethoxy-2,2-dimethyldecan-4-ol.
What is the SMILES notation for 3-ethoxy-2,2-dimethyldecan-4-ol?
The canonical SMILES for 3-ethoxy-2,2-dimethyldecan-4-ol is CCCCCCC(O)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyldecan-4-ol?
The InChIKey is MMVXRQWWRYEFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-6-8-9-10-11-12(15)13(16-7-2)14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyldecan-4-ol?
3-ethoxy-2,2-dimethyldecan-4-ol has a molecular weight of 230.39 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyldecan-4-ol is sourced from PubChem (CID 116713288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).