(2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol

C14H26O2 — CID 23242851

IUPAC(2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol
SMILESCC(=C\C(C)(C)C)/C=C(\C)[C@H](O)[C@@H](C)CO
InChIInChI=1S/C14H26O2/c1-10(8-14(4,5)6)7-11(2)13(16)12(3)9-15/h7-8,12-13,15-16H,9H2,1-6H3/b10-8+,11-7+/t12-,13-/m0/s1
InChIKeyQMGMWOWUULULRJ-GJQYAJETSA-N
MW226.36 g/mol
LogP2.91
Rot. Bonds4

About (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol

(2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol (PubChem CID 23242851) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol.

Molecular Properties

Compound Name(2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol
PubChem CID23242851
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol
SMILESCC(=C\C(C)(C)C)/C=C(\C)[C@H](O)[C@@H](C)CO
InChIInChI=1S/C14H26O2/c1-10(8-14(4,5)6)7-11(2)13(16)12(3)9-15/h7-8,12-13,15-16H,9H2,1-6H3/b10-8+,11-7+/t12-,13-/m0/s1
InChIKeyQMGMWOWUULULRJ-GJQYAJETSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol?
The IUPAC name of (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol (CID 23242851) is (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol.
What is the SMILES notation for (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol?
The canonical SMILES for (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol is CC(=C\C(C)(C)C)/C=C(\C)[C@H](O)[C@@H](C)CO.
What is the InChIKey of (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol?
The InChIKey is QMGMWOWUULULRJ-GJQYAJETSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(8-14(4,5)6)7-11(2)13(16)12(3)9-15/h7-8,12-13,15-16H,9H2,1-6H3/b10-8+,11-7+/t12-,13-/m0/s1.
What are the key properties of (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol?
(2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol has a molecular weight of 226.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4E,6E)-2,4,6,8,8-pentamethylnona-4,6-diene-1,3-diol is sourced from PubChem (CID 23242851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).