(2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol

C15H26O2 — CID 134862513

IUPAC(2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol
SMILESC=C[C@@](C)(CO)[C@@H](O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,11-16)14(17)10-13(4)9-7-8-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3/b13-10+/t14-,15-/m0/s1
InChIKeyFVDCXDVLNHMVFQ-CMOQBRTCSA-N
MW238.37 g/mol
LogP3.22
Rot. Bonds7

About (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol

(2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol (PubChem CID 134862513) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol.

Molecular Properties

Compound Name(2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol
PubChem CID134862513
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol
SMILESC=C[C@@](C)(CO)[C@@H](O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,11-16)14(17)10-13(4)9-7-8-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3/b13-10+/t14-,15-/m0/s1
InChIKeyFVDCXDVLNHMVFQ-CMOQBRTCSA-N
XLogP3.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol?
The IUPAC name of (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol (CID 134862513) is (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol.
What is the SMILES notation for (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol?
The canonical SMILES for (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol is C=C[C@@](C)(CO)[C@@H](O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol?
The InChIKey is FVDCXDVLNHMVFQ-CMOQBRTCSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,11-16)14(17)10-13(4)9-7-8-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3/b13-10+/t14-,15-/m0/s1.
What are the key properties of (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol?
(2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol has a molecular weight of 238.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4E)-2-ethenyl-2,5,9-trimethyldeca-4,8-diene-1,3-diol is sourced from PubChem (CID 134862513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).