(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol

C20H34O2 — CID 5282197

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IUPAC(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
InChIKeySUWYPNNPLSRNPS-UNTSEYQFSA-N
MW306.49 g/mol
LogP5.10
Rot. Bonds11

About (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol

(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol (PubChem CID 5282197) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol.

Molecular Properties

Compound Name(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol
PubChem CID5282197
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
InChIKeySUWYPNNPLSRNPS-UNTSEYQFSA-N
XLogP5.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol with MolForge

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Related Compounds

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
Solanesol
CID 5477212
(2-cis,6-trans)-Farnesol
CID 1549108
Geranylgeraniol
CID 5281365
2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397
3,7-Dimethyl-2,6-octadienol
CID 4458
a Farnesol
CID 3327
Farnesol, (2Z,6Z)-
CID 1549107
Undecaprenol
CID 5280474
Lycophyll
CID 5363599

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol?
The IUPAC name of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol (CID 5282197) is (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol.
What is the SMILES notation for (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol?
The canonical SMILES for (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol is CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO)CO.
What is the InChIKey of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol?
The InChIKey is SUWYPNNPLSRNPS-UNTSEYQFSA-N. The full InChI is InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-.
What are the key properties of (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol?
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol has a molecular weight of 306.49 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol is sourced from PubChem (CID 5282197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).