1-(cyclohexyloxymethoxy)propan-1-ol

C10H20O3 — CID 20698641

IUPAC1-(cyclohexyloxymethoxy)propan-1-ol
SMILESCCC(O)OCOC1CCCCC1
InChIInChI=1S/C10H20O3/c1-2-10(11)13-8-12-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3
InChIKeyBRXGMZFSNQDWGV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds5

About 1-(cyclohexyloxymethoxy)propan-1-ol

1-(cyclohexyloxymethoxy)propan-1-ol (PubChem CID 20698641) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(cyclohexyloxymethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(cyclohexyloxymethoxy)propan-1-ol
PubChem CID20698641
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(cyclohexyloxymethoxy)propan-1-ol
SMILESCCC(O)OCOC1CCCCC1
InChIInChI=1S/C10H20O3/c1-2-10(11)13-8-12-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3
InChIKeyBRXGMZFSNQDWGV-UHFFFAOYSA-N
XLogP2.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propan-2-yloxymethoxycyclononane
CID 21496351
1-cyclohexyloxypropan-1-ol
CID 22483716
1-cyclododecyloxypropan-2-ol
CID 54403914
ethoxycyclooctane
CID 13427982
azane;ethoxycyclooctane
CID 70271275
(2R)-1-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 90381402
propoxycyclooctane
CID 54078990
(2-methylpropan-2-yl)oxymethoxycyclohexane
CID 15032741
1-O-cyclohexyl 4-O-(1-hydroxypropyl) (Z)-but-2-enedioate
CID 70185475
2-(bromomethyl)butoxycycloheptane
CID 64995040
ethoxycyclopentane;methoxymethane;propane-1,2-diol
CID 66606332
2-cycloheptyloxy-1-cyclopentylethanol
CID 104753667

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexyloxymethoxy)propan-1-ol?
The IUPAC name of 1-(cyclohexyloxymethoxy)propan-1-ol (CID 20698641) is 1-(cyclohexyloxymethoxy)propan-1-ol.
What is the SMILES notation for 1-(cyclohexyloxymethoxy)propan-1-ol?
The canonical SMILES for 1-(cyclohexyloxymethoxy)propan-1-ol is CCC(O)OCOC1CCCCC1.
What is the InChIKey of 1-(cyclohexyloxymethoxy)propan-1-ol?
The InChIKey is BRXGMZFSNQDWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-10(11)13-8-12-9-6-4-3-5-7-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-(cyclohexyloxymethoxy)propan-1-ol?
1-(cyclohexyloxymethoxy)propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyloxymethoxy)propan-1-ol is sourced from PubChem (CID 20698641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).