(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol

C16H22O — CID 10585573

IUPAC(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol
SMILESCC(C)(C)C(O)C/C=C/C=C/c1ccccc1
InChIInChI=1S/C16H22O/c1-16(2,3)15(17)13-9-5-8-12-14-10-6-4-7-11-14/h4-12,15,17H,13H2,1-3H3/b9-5+,12-8+
InChIKeyZUUYQDRSDOBXOB-PIHCAMFYSA-N
MW230.35 g/mol
LogP4.05
Rot. Bonds4

About (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol

(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol (PubChem CID 10585573) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol
PubChem CID10585573
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol
SMILESCC(C)(C)C(O)C/C=C/C=C/c1ccccc1
InChIInChI=1S/C16H22O/c1-16(2,3)15(17)13-9-5-8-12-14-10-6-4-7-11-14/h4-12,15,17H,13H2,1-3H3/b9-5+,12-8+
InChIKeyZUUYQDRSDOBXOB-PIHCAMFYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol?
The IUPAC name of (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol (CID 10585573) is (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol.
What is the SMILES notation for (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol?
The canonical SMILES for (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol is CC(C)(C)C(O)C/C=C/C=C/c1ccccc1.
What is the InChIKey of (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol?
The InChIKey is ZUUYQDRSDOBXOB-PIHCAMFYSA-N. The full InChI is InChI=1S/C16H22O/c1-16(2,3)15(17)13-9-5-8-12-14-10-6-4-7-11-14/h4-12,15,17H,13H2,1-3H3/b9-5+,12-8+.
What are the key properties of (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol?
(5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol has a molecular weight of 230.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-2,2-dimethyl-8-phenylocta-5,7-dien-3-ol is sourced from PubChem (CID 10585573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).