(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol

C20H30O — CID 142208267

IUPAC(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol
SMILESC=CC(=CC/C=C\C)C(C)C(C)(C)C.Oc1ccccc1
InChIInChI=1S/C14H24.C6H6O/c1-7-9-10-11-13(8-2)12(3)14(4,5)6;7-6-4-2-1-3-5-6/h7-9,11-12H,2,10H2,1,3-6H3;1-5,7H/b9-7-,13-11?;
InChIKeyZWVSOYJLFWTGON-KDMAAHLJSA-N
MW286.46 g/mol
LogP6.14
Rot. Bonds4

About (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol

(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol (PubChem CID 142208267) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol.

Molecular Properties

Compound Name(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol
PubChem CID142208267
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol
SMILESC=CC(=CC/C=C\C)C(C)C(C)(C)C.Oc1ccccc1
InChIInChI=1S/C14H24.C6H6O/c1-7-9-10-11-13(8-2)12(3)14(4,5)6;7-6-4-2-1-3-5-6/h7-9,11-12H,2,10H2,1,3-6H3;1-5,7H/b9-7-,13-11?;
InChIKeyZWVSOYJLFWTGON-KDMAAHLJSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;phenol;prop-1-ene
CID 174830652
phenol;propane-1,2-diol;prop-1-ene
CID 174392843
CID 174852857
CID 174852857
benzene;phenol;prop-2-enoic acid
CID 174875932
2-methylpropan-1-ol;phenol
CID 158335156
phenol;tris(2-methylpropyl)alumane
CID 174801249
chloroethene;phenol
CID 19792278
phenol;propan-2-ylphosphane
CID 142173645
bis((E)-but-2-ene);cumene;1,3-diphenoxypropan-2-ol;phenol
CID 164982615
benzene;formaldehyde;phenol;hydrate
CID 174789223
benzene;phenol;propane
CID 157176896
CID 174853584
CID 174853584

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol?
The IUPAC name of (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol (CID 142208267) is (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol.
What is the SMILES notation for (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol?
The canonical SMILES for (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol is C=CC(=CC/C=C\C)C(C)C(C)(C)C.Oc1ccccc1.
What is the InChIKey of (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol?
The InChIKey is ZWVSOYJLFWTGON-KDMAAHLJSA-N. The full InChI is InChI=1S/C14H24.C6H6O/c1-7-9-10-11-13(8-2)12(3)14(4,5)6;7-6-4-2-1-3-5-6/h7-9,11-12H,2,10H2,1,3-6H3;1-5,7H/b9-7-,13-11?;.
What are the key properties of (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol?
(2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol has a molecular weight of 286.46 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-ethenyl-7,8,8-trimethylnona-2,5-diene;phenol is sourced from PubChem (CID 142208267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).