1-(3-hydroxypentoxy)pentan-3-ol

C10H22O3 — CID 57246494

IUPAC1-(3-hydroxypentoxy)pentan-3-ol
SMILESCCC(O)CCOCCC(O)CC
InChIInChI=1S/C10H22O3/c1-3-9(11)5-7-13-8-6-10(12)4-2/h9-12H,3-8H2,1-2H3
InChIKeyLDMUAIMVCZGGKX-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.33
Rot. Bonds8

About 1-(3-hydroxypentoxy)pentan-3-ol

1-(3-hydroxypentoxy)pentan-3-ol (PubChem CID 57246494) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-(3-hydroxypentoxy)pentan-3-ol.

Molecular Properties

Compound Name1-(3-hydroxypentoxy)pentan-3-ol
PubChem CID57246494
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-(3-hydroxypentoxy)pentan-3-ol
SMILESCCC(O)CCOCCC(O)CC
InChIInChI=1S/C10H22O3/c1-3-9(11)5-7-13-8-6-10(12)4-2/h9-12H,3-8H2,1-2H3
InChIKeyLDMUAIMVCZGGKX-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Hexyloxypropylene glycol
CID 11229094
3,3'-Dihydroxydibutyl ether
CID 92141
1,3-Pentanediol
CID 151085
1-O-Pentylglycerol
CID 90819
1-Butanol, 3,3'-oxybis-
CID 171333
1-Butanol, 3-(3-hydroxybutoxy)-
CID 171694
1-Ethoxy-3-pentanol
CID 294551
4-(Decyloxy)butan-2-ol
CID 57185
3-Ethoxy-butan-1-OL
CID 5148119
4-(Tert-butoxy)butan-2-ol
CID 22352708
4-Propan-2-yloxybutan-2-ol
CID 38387
2-O-hexyl-sn-glycerol
CID 82535

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypentoxy)pentan-3-ol?
The IUPAC name of 1-(3-hydroxypentoxy)pentan-3-ol (CID 57246494) is 1-(3-hydroxypentoxy)pentan-3-ol.
What is the SMILES notation for 1-(3-hydroxypentoxy)pentan-3-ol?
The canonical SMILES for 1-(3-hydroxypentoxy)pentan-3-ol is CCC(O)CCOCCC(O)CC.
What is the InChIKey of 1-(3-hydroxypentoxy)pentan-3-ol?
The InChIKey is LDMUAIMVCZGGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-3-9(11)5-7-13-8-6-10(12)4-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(3-hydroxypentoxy)pentan-3-ol?
1-(3-hydroxypentoxy)pentan-3-ol has a molecular weight of 190.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypentoxy)pentan-3-ol is sourced from PubChem (CID 57246494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).