(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol

C20H30O2 — CID 102004119

IUPAC(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
SMILESC/C(=C\CC(C)(C)C/C=C(\C)COCc1ccccc1)CO
InChIInChI=1S/C20H30O2/c1-17(14-21)10-12-20(3,4)13-11-18(2)15-22-16-19-8-6-5-7-9-19/h5-11,21H,12-16H2,1-4H3/b17-10+,18-11+
InChIKeyHHJRRWBWMLVSLE-ODPUSEOTSA-N
MW302.46 g/mol
LogP4.89
Rot. Bonds9

About (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol

(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol (PubChem CID 102004119) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
PubChem CID102004119
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
SMILESC/C(=C\CC(C)(C)C/C=C(\C)COCc1ccccc1)CO
InChIInChI=1S/C20H30O2/c1-17(14-21)10-12-20(3,4)13-11-18(2)15-22-16-19-8-6-5-7-9-19/h5-11,21H,12-16H2,1-4H3/b17-10+,18-11+
InChIKeyHHJRRWBWMLVSLE-ODPUSEOTSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol?
The IUPAC name of (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol (CID 102004119) is (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol.
What is the SMILES notation for (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol?
The canonical SMILES for (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol is C/C(=C\CC(C)(C)C/C=C(\C)COCc1ccccc1)CO.
What is the InChIKey of (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol?
The InChIKey is HHJRRWBWMLVSLE-ODPUSEOTSA-N. The full InChI is InChI=1S/C20H30O2/c1-17(14-21)10-12-20(3,4)13-11-18(2)15-22-16-19-8-6-5-7-9-19/h5-11,21H,12-16H2,1-4H3/b17-10+,18-11+.
What are the key properties of (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol?
(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol has a molecular weight of 302.46 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol is sourced from PubChem (CID 102004119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).