(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal

C15H18O2 — CID 162954903

IUPAC(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal
SMILESCCCCC[C@@H](O)/C=C/C#CC#C/C=C/C=O
InChIInChI=1S/C15H18O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13-15,17H,2-3,9,12H2,1H3/b11-8+,13-10+/t15-/m1/s1
InChIKeyDKHGWZAGTJTORV-KZLMLFTGSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds6

About (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal

(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal (PubChem CID 162954903) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal.

Molecular Properties

Compound Name(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal
PubChem CID162954903
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal
SMILESCCCCC[C@@H](O)/C=C/C#CC#C/C=C/C=O
InChIInChI=1S/C15H18O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13-15,17H,2-3,9,12H2,1H3/b11-8+,13-10+/t15-/m1/s1
InChIKeyDKHGWZAGTJTORV-KZLMLFTGSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal?
The IUPAC name of (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal (CID 162954903) is (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal.
What is the SMILES notation for (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal?
The canonical SMILES for (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal is CCCCC[C@@H](O)/C=C/C#CC#C/C=C/C=O.
What is the InChIKey of (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal?
The InChIKey is DKHGWZAGTJTORV-KZLMLFTGSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13-15,17H,2-3,9,12H2,1H3/b11-8+,13-10+/t15-/m1/s1.
What are the key properties of (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal?
(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal has a molecular weight of 230.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal is sourced from PubChem (CID 162954903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).