(E,8R)-dec-6-en-4-yne-1,8-diol

C10H16O2 — CID 162895421

IUPAC(E,8R)-dec-6-en-4-yne-1,8-diol
SMILESCC[C@@H](O)/C=C/C#CCCCO
InChIInChI=1S/C10H16O2/c1-2-10(12)8-6-4-3-5-7-9-11/h6,8,10-12H,2,5,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyPEXAEZMKRMJCNZ-QEHWCHDUSA-N
MW168.24 g/mol
LogP1.09
Rot. Bonds4

About (E,8R)-dec-6-en-4-yne-1,8-diol

(E,8R)-dec-6-en-4-yne-1,8-diol (PubChem CID 162895421) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E,8R)-dec-6-en-4-yne-1,8-diol.

Molecular Properties

Compound Name(E,8R)-dec-6-en-4-yne-1,8-diol
PubChem CID162895421
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E,8R)-dec-6-en-4-yne-1,8-diol
SMILESCC[C@@H](O)/C=C/C#CCCCO
InChIInChI=1S/C10H16O2/c1-2-10(12)8-6-4-3-5-7-9-11/h6,8,10-12H,2,5,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyPEXAEZMKRMJCNZ-QEHWCHDUSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5317309
1,9-Heptadecadiene-4,6-diyne-3,8-diol
CID 6436239
Virol B
CID 10753985
Oplopandiol
CID 6474833
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CID 5469787
Npc177874
CID 5807986
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Frequently Asked Questions

What is the IUPAC name of (E,8R)-dec-6-en-4-yne-1,8-diol?
The IUPAC name of (E,8R)-dec-6-en-4-yne-1,8-diol (CID 162895421) is (E,8R)-dec-6-en-4-yne-1,8-diol.
What is the SMILES notation for (E,8R)-dec-6-en-4-yne-1,8-diol?
The canonical SMILES for (E,8R)-dec-6-en-4-yne-1,8-diol is CC[C@@H](O)/C=C/C#CCCCO.
What is the InChIKey of (E,8R)-dec-6-en-4-yne-1,8-diol?
The InChIKey is PEXAEZMKRMJCNZ-QEHWCHDUSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-10(12)8-6-4-3-5-7-9-11/h6,8,10-12H,2,5,7,9H2,1H3/b8-6+/t10-/m1/s1.
What are the key properties of (E,8R)-dec-6-en-4-yne-1,8-diol?
(E,8R)-dec-6-en-4-yne-1,8-diol has a molecular weight of 168.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,8R)-dec-6-en-4-yne-1,8-diol is sourced from PubChem (CID 162895421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).