1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol

C20H38O3 — CID 87864573

IUPAC1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
SMILESC=CCCCCCCC(O)COCC(O)CCCCCCC=C
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-13-15-19(21)17-23-18-20(22)16-14-12-10-8-6-4-2/h3-4,19-22H,1-2,5-18H2
InChIKeySOYJRSUQJCDSBR-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.78
Rot. Bonds18

About 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol

1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol (PubChem CID 87864573) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol.

Molecular Properties

Compound Name1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
PubChem CID87864573
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
SMILESC=CCCCCCCC(O)COCC(O)CCCCCCC=C
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-13-15-19(21)17-23-18-20(22)16-14-12-10-8-6-4-2/h3-4,19-22H,1-2,5-18H2
InChIKeySOYJRSUQJCDSBR-UHFFFAOYSA-N
XLogP4.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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nonadec-18-en-7-ol
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(9S)-heptadec-1-en-9-ol
CID 86644250
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
1-bromooct-7-en-2-ol
CID 12003548
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
(2R,4R)-nonadec-18-ene-1,2,4-triol
CID 171749801
1-propoxyoct-7-en-3-ol
CID 105102038
nona-1,8-dien-4-ol
CID 14385456
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
3-hydroxydec-9-enoic acid
CID 19010677

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol?
The IUPAC name of 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol (CID 87864573) is 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol.
What is the SMILES notation for 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol?
The canonical SMILES for 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol is C=CCCCCCCC(O)COCC(O)CCCCCCC=C.
What is the InChIKey of 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol?
The InChIKey is SOYJRSUQJCDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-7-9-11-13-15-19(21)17-23-18-20(22)16-14-12-10-8-6-4-2/h3-4,19-22H,1-2,5-18H2.
What are the key properties of 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol?
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol has a molecular weight of 326.52 g/mol, XLogP of 4.78, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol is sourced from PubChem (CID 87864573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).