[3-(3-methoxypropyl)oxan-3-yl]methanol

C10H20O3 — CID 66059448

IUPAC[3-(3-methoxypropyl)oxan-3-yl]methanol
SMILESCOCCCC1(CO)CCCOC1
InChIInChI=1S/C10H20O3/c1-12-6-2-4-10(8-11)5-3-7-13-9-10/h11H,2-9H2,1H3
InChIKeyUCXVKXBOBVCOTQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds5

About [3-(3-methoxypropyl)oxan-3-yl]methanol

[3-(3-methoxypropyl)oxan-3-yl]methanol (PubChem CID 66059448) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [3-(3-methoxypropyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxypropyl)oxan-3-yl]methanol
PubChem CID66059448
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[3-(3-methoxypropyl)oxan-3-yl]methanol
SMILESCOCCCC1(CO)CCCOC1
InChIInChI=1S/C10H20O3/c1-12-6-2-4-10(8-11)5-3-7-13-9-10/h11H,2-9H2,1H3
InChIKeyUCXVKXBOBVCOTQ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-octyloxan-3-yl)methanol
CID 66058603
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
[3-[2-(4-methoxyphenoxy)ethyl]oxan-3-yl]methanol
CID 66060087
[3-[3-(oxolan-2-yl)propyl]oxan-3-yl]methanol
CID 66058186
3,3-dipentyloxane
CID 174267507
3-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]propanoic acid
CID 97125742
[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]oxan-3-yl]methanol
CID 103539291
1-[4-(3-methoxypropyl)oxan-4-yl]-N-methylmethanamine
CID 62907290
[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol
CID 131057764
[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol
CID 103017983
[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methanol
CID 82953185
3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropyl)oxan-3-yl]methanol?
The IUPAC name of [3-(3-methoxypropyl)oxan-3-yl]methanol (CID 66059448) is [3-(3-methoxypropyl)oxan-3-yl]methanol.
What is the SMILES notation for [3-(3-methoxypropyl)oxan-3-yl]methanol?
The canonical SMILES for [3-(3-methoxypropyl)oxan-3-yl]methanol is COCCCC1(CO)CCCOC1.
What is the InChIKey of [3-(3-methoxypropyl)oxan-3-yl]methanol?
The InChIKey is UCXVKXBOBVCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-12-6-2-4-10(8-11)5-3-7-13-9-10/h11H,2-9H2,1H3.
What are the key properties of [3-(3-methoxypropyl)oxan-3-yl]methanol?
[3-(3-methoxypropyl)oxan-3-yl]methanol has a molecular weight of 188.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropyl)oxan-3-yl]methanol is sourced from PubChem (CID 66059448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).