3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol

C13H26O2 — CID 116713341

IUPAC3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol
SMILESC=C(CC)CC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-10(3)9-11(14)12(15-8-2)13(4,5)6/h11-12,14H,3,7-9H2,1-2,4-6H3
InChIKeyQMLOAQXGTQXBDI-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.15
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol

3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol (PubChem CID 116713341) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol
PubChem CID116713341
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol
SMILESC=C(CC)CC(O)C(OCC)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-7-10(3)9-11(14)12(15-8-2)13(4,5)6/h11-12,14H,3,7-9H2,1-2,4-6H3
InChIKeyQMLOAQXGTQXBDI-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Methyl-3-methylene-1,6,7-octanetriol
CID 10607654
(4S)-2,3,3-trimethylnon-1-en-4-ol
CID 146265560
4-Methoxy-2,4-dimethyloct-1-en-3-ol
CID 134993282
(3R,4R)-2,2-dimethyl-5-methylideneheptane-3,4-diol
CID 102351582
2,2,7-Trimethyloct-7-en-3-ol
CID 79185758
7,7-Dimethyl-5-methylideneoctan-3-ol
CID 87457383
2,9,9-Trimethyl-7-methylidenedec-1-ene-1,5-diol
CID 88815538
(1-Methylcyclopropyl)-(4-methyl-2,3-dihydrofuran-2-yl)methanol
CID 89246235
5-Methoxy-7-methyloct-7-en-4-ol
CID 90832430
5-Methoxy-2,7-dimethyloct-7-en-4-ol
CID 90920170
2-[2-(3,3-Dimethylcyclohexen-1-yl)ethoxy]-2-methylpropan-1-ol
CID 90932514
1-(2,4,4,6-Tetramethylhept-6-enoxy)propan-2-ol
CID 139606102

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol?
The IUPAC name of 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol (CID 116713341) is 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol is C=C(CC)CC(O)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol?
The InChIKey is QMLOAQXGTQXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-10(3)9-11(14)12(15-8-2)13(4,5)6/h11-12,14H,3,7-9H2,1-2,4-6H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol?
3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol has a molecular weight of 214.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-6-methylideneoctan-4-ol is sourced from PubChem (CID 116713341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).