7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol

C16H30O5 — CID 23196258

IUPAC7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol
SMILESC=C(OC(=C)C(O)CCCCCO)C(O)CCCCCO
InChIInChI=1S/C16H30O5/c1-13(15(19)9-5-3-7-11-17)21-14(2)16(20)10-6-4-8-12-18/h15-20H,1-12H2
InChIKeyXIUQVBSRADTMDN-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.86
Rot. Bonds14

About 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol

7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol (PubChem CID 23196258) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol.

Molecular Properties

Compound Name7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol
PubChem CID23196258
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol
SMILESC=C(OC(=C)C(O)CCCCCO)C(O)CCCCCO
InChIInChI=1S/C16H30O5/c1-13(15(19)9-5-3-7-11-17)21-14(2)16(20)10-6-4-8-12-18/h15-20H,1-12H2
InChIKeyXIUQVBSRADTMDN-UHFFFAOYSA-N
XLogP1.86
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol?
The IUPAC name of 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol (CID 23196258) is 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol.
What is the SMILES notation for 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol?
The canonical SMILES for 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol is C=C(OC(=C)C(O)CCCCCO)C(O)CCCCCO.
What is the InChIKey of 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol?
The InChIKey is XIUQVBSRADTMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-13(15(19)9-5-3-7-11-17)21-14(2)16(20)10-6-4-8-12-18/h15-20H,1-12H2.
What are the key properties of 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol?
7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol has a molecular weight of 302.41 g/mol, XLogP of 1.86, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,8-dihydroxyoct-1-en-2-yloxy)oct-7-ene-1,6-diol is sourced from PubChem (CID 23196258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).