1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol

C13H26O2 — CID 116713486

IUPAC1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
SMILESCCOC(C(O)CCC1CC1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-15-12(13(2,3)4)11(14)9-8-10-6-7-10/h10-12,14H,5-9H2,1-4H3
InChIKeyFXOHCQWVTZMWEL-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds6

About 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol

1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol (PubChem CID 116713486) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
PubChem CID116713486
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol
SMILESCCOC(C(O)CCC1CC1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-15-12(13(2,3)4)11(14)9-8-10-6-7-10/h10-12,14H,5-9H2,1-4H3
InChIKeyFXOHCQWVTZMWEL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288
1-cyclopropylheptane-3,4-diol
CID 103455036
1-cyclopropyl-4,5-dimethylhexan-3-ol
CID 115810725
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
1-cyclopropyl-4-ethoxy-4-methylhexan-3-ol
CID 116752325
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol?
The IUPAC name of 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol (CID 116713486) is 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol.
What is the SMILES notation for 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol?
The canonical SMILES for 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol is CCOC(C(O)CCC1CC1)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol?
The InChIKey is FXOHCQWVTZMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-15-12(13(2,3)4)11(14)9-8-10-6-7-10/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol?
1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-ethoxy-5,5-dimethylhexan-3-ol is sourced from PubChem (CID 116713486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).