(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane

C19H48O2 — CID 160519828

IUPAC(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane
SMILESC.C.C.C.C.C.C.C=CC(C/C=C/CO)CC/C=C\CO
InChIInChI=1S/C12H20O2.7CH4/c1-2-12(9-5-7-11-14)8-4-3-6-10-13;;;;;;;/h2-3,5-7,12-14H,1,4,8-11H2;7*1H4/b6-3-,7-5+;;;;;;;
InChIKeyQUCYPZOUWNADNB-RKNQVPHASA-N
MW308.59 g/mol
LogP6.51
Rot. Bonds8

About (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane

(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane (PubChem CID 160519828) has the molecular formula C19H48O2 and a molecular weight of 308.59 g/mol. Its IUPAC name is (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane.

Molecular Properties

Compound Name(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane
PubChem CID160519828
Molecular FormulaC19H48O2
Molecular Weight308.59 g/mol
Exact Mass308.37
IUPAC Name(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane
SMILESC.C.C.C.C.C.C.C=CC(C/C=C/CO)CC/C=C\CO
InChIInChI=1S/C12H20O2.7CH4/c1-2-12(9-5-7-11-14)8-4-3-6-10-13;;;;;;;/h2-3,5-7,12-14H,1,4,8-11H2;7*1H4/b6-3-,7-5+;;;;;;;
InChIKeyQUCYPZOUWNADNB-RKNQVPHASA-N
XLogP6.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyldeca-2,8-diene-1,10-diamine
CID 74060050
(E)-9-ethenylundec-5-ene-1,11-diol
CID 23591510
11-ethenyl-5,14-dimethyloctadec-8-enedioic acid
CID 71348445
(213C)octa-2,6-diene-1,8-diol
CID 57064560
CID 59879592
CID 59879592
5-ethenyloct-2-ene
CID 91485843
3,9-dimethyldeca-1,6-diene
CID 173018442
5-methylhex-2-en-1-ol
CID 12538351
(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
CID 15441076
(E,5R)-5-ethenylhex-2-ene-1,6-diamine
CID 124537933
(2R)-2-ethenylhexane-1,6-diol
CID 130621473
hex-4-ene-1,2,6-triol
CID 140660957

Frequently Asked Questions

What is the IUPAC name of (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane?
The IUPAC name of (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane (CID 160519828) is (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane.
What is the SMILES notation for (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane?
The canonical SMILES for (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane is C.C.C.C.C.C.C.C=CC(C/C=C/CO)CC/C=C\CO.
What is the InChIKey of (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane?
The InChIKey is QUCYPZOUWNADNB-RKNQVPHASA-N. The full InChI is InChI=1S/C12H20O2.7CH4/c1-2-12(9-5-7-11-14)8-4-3-6-10-13;;;;;;;/h2-3,5-7,12-14H,1,4,8-11H2;7*1H4/b6-3-,7-5+;;;;;;;.
What are the key properties of (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane?
(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane has a molecular weight of 308.59 g/mol, XLogP of 6.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane is sourced from PubChem (CID 160519828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).