cyclohexanol;dodecoxymethanol

C19H40O3 — CID 157186825

IUPACcyclohexanol;dodecoxymethanol
SMILESCCCCCCCCCCCCOCO.OC1CCCCC1
InChIInChI=1S/C13H28O2.C6H12O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14;7-6-4-2-1-3-5-6/h14H,2-13H2,1H3;6-7H,1-5H2
InChIKeyAPFHSYLNVOAENB-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.19
Rot. Bonds12

About cyclohexanol;dodecoxymethanol

cyclohexanol;dodecoxymethanol (PubChem CID 157186825) has the molecular formula C19H40O3 and a molecular weight of 316.53 g/mol. Its IUPAC name is cyclohexanol;dodecoxymethanol.

Molecular Properties

Compound Namecyclohexanol;dodecoxymethanol
PubChem CID157186825
Molecular FormulaC19H40O3
Molecular Weight316.53 g/mol
Exact Mass316.30
IUPAC Namecyclohexanol;dodecoxymethanol
SMILESCCCCCCCCCCCCOCO.OC1CCCCC1
InChIInChI=1S/C13H28O2.C6H12O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14;7-6-4-2-1-3-5-6/h14H,2-13H2,1H3;6-7H,1-5H2
InChIKeyAPFHSYLNVOAENB-UHFFFAOYSA-N
XLogP5.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

cyclohexanol;octan-1-ol
CID 67205561
10-butoxycyclooctadecan-1-ol
CID 91298202
butan-1-ol;cyclopentanol
CID 67930913
cyclododecanol;ethoxyethane
CID 70443501
tris(cyclododecanol);hexadecanoic acid
CID 175985554
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
butoxymethanol;hafnium
CID 175007375
butoxymethanol;ethane
CID 145241108
butoxymethanol;titanium
CID 150795617
10-hexoxy-oxacyclotetradecan-3-ol
CID 173215494
17-(hydroxymethoxy)heptadecan-7-ol
CID 122659082
3-tetradecoxycyclohexan-1-ol
CID 173215393

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;dodecoxymethanol?
The IUPAC name of cyclohexanol;dodecoxymethanol (CID 157186825) is cyclohexanol;dodecoxymethanol.
What is the SMILES notation for cyclohexanol;dodecoxymethanol?
The canonical SMILES for cyclohexanol;dodecoxymethanol is CCCCCCCCCCCCOCO.OC1CCCCC1.
What is the InChIKey of cyclohexanol;dodecoxymethanol?
The InChIKey is APFHSYLNVOAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2.C6H12O/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14;7-6-4-2-1-3-5-6/h14H,2-13H2,1H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;dodecoxymethanol?
cyclohexanol;dodecoxymethanol has a molecular weight of 316.53 g/mol, XLogP of 5.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;dodecoxymethanol is sourced from PubChem (CID 157186825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).