(2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal

C15H24O3 — CID 162883141

IUPAC(2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/[C@H](O)C/C(C)=C/CO
InChIInChI=1S/C15H24O3/c1-12(5-4-6-14(3)11-17)9-15(18)10-13(2)7-8-16/h6-7,9,11,15-16,18H,4-5,8,10H2,1-3H3/b12-9+,13-7+,14-6+/t15-/m0/s1
InChIKeyCBWQPNCUTFARPC-QUIIXDALSA-N
MW252.35 g/mol
LogP2.55
Rot. Bonds8

About (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal

(2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal (PubChem CID 162883141) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal.

Molecular Properties

Compound Name(2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal
PubChem CID162883141
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/[C@H](O)C/C(C)=C/CO
InChIInChI=1S/C15H24O3/c1-12(5-4-6-14(3)11-17)9-15(18)10-13(2)7-8-16/h6-7,9,11,15-16,18H,4-5,8,10H2,1-3H3/b12-9+,13-7+,14-6+/t15-/m0/s1
InChIKeyCBWQPNCUTFARPC-QUIIXDALSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal?
The IUPAC name of (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal (CID 162883141) is (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal.
What is the SMILES notation for (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal?
The canonical SMILES for (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal is C/C(C=O)=C\CC/C(C)=C/[C@H](O)C/C(C)=C/CO.
What is the InChIKey of (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal?
The InChIKey is CBWQPNCUTFARPC-QUIIXDALSA-N. The full InChI is InChI=1S/C15H24O3/c1-12(5-4-6-14(3)11-17)9-15(18)10-13(2)7-8-16/h6-7,9,11,15-16,18H,4-5,8,10H2,1-3H3/b12-9+,13-7+,14-6+/t15-/m0/s1.
What are the key properties of (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal?
(2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal has a molecular weight of 252.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8R,10E)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal is sourced from PubChem (CID 162883141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).