3-(4-methoxyoxan-4-yl)propan-1-ol

C9H18O3 — CID 19930925

IUPAC3-(4-methoxyoxan-4-yl)propan-1-ol
SMILESCOC1(CCCO)CCOCC1
InChIInChI=1S/C9H18O3/c1-11-9(3-2-6-10)4-7-12-8-5-9/h10H,2-8H2,1H3
InChIKeyNVDAPSMRPWKJDA-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.95
Rot. Bonds4

About 3-(4-methoxyoxan-4-yl)propan-1-ol

3-(4-methoxyoxan-4-yl)propan-1-ol (PubChem CID 19930925) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)propan-1-ol
PubChem CID19930925
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-(4-methoxyoxan-4-yl)propan-1-ol
SMILESCOC1(CCCO)CCOCC1
InChIInChI=1S/C9H18O3/c1-11-9(3-2-6-10)4-7-12-8-5-9/h10H,2-8H2,1H3
InChIKeyNVDAPSMRPWKJDA-UHFFFAOYSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyloxan-4-ol
CID 4914692
4-Ethyl-1,4-hexanediol
CID 13927424
(2-Methyloxan-4-yl)methanol
CID 22235159
(2,2-Dimethyloxan-4-yl)methanol
CID 51072184
4-Isopropyltetrahydro-2H-pyran-4-OL
CID 57762515
[(2R,4r,6S)-2,6-dimethyloxan-4-yl]methanol
CID 67078164
(2,2,6,6-tetramethyl-tetrahydro-2H-pyran-4-yl)methanol
CID 67323065
3-(Propan-2-yl)oxan-4-ol
CID 106471202
1-(2-Methyloxan-4-yl)ethan-1-ol
CID 66439369
3-Ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 75456970
rac-[(2R,4S)-2-methyloxan-4-yl]methanol
CID 97010852
(4-Ethoxyoxan-4-yl)methanol
CID 124251899

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyoxan-4-yl)propan-1-ol?
The IUPAC name of 3-(4-methoxyoxan-4-yl)propan-1-ol (CID 19930925) is 3-(4-methoxyoxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)propan-1-ol?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)propan-1-ol is COC1(CCCO)CCOCC1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)propan-1-ol?
The InChIKey is NVDAPSMRPWKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-11-9(3-2-6-10)4-7-12-8-5-9/h10H,2-8H2,1H3.
What are the key properties of 3-(4-methoxyoxan-4-yl)propan-1-ol?
3-(4-methoxyoxan-4-yl)propan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)propan-1-ol is sourced from PubChem (CID 19930925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).