(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol

C15H20O — CID 102318875

IUPAC(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
SMILESC[C@H](O)[C@@H](C)C/C=C\C=C\c1ccccc1
InChIInChI=1S/C15H20O/c1-13(14(2)16)9-5-3-6-10-15-11-7-4-8-12-15/h3-8,10-14,16H,9H2,1-2H3/b5-3-,10-6+/t13-,14-/m0/s1
InChIKeyARROMLOSFCWJKF-CADGQSGLSA-N
MW216.32 g/mol
LogP3.66
Rot. Bonds5

About (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol

(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol (PubChem CID 102318875) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol.

Molecular Properties

Compound Name(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
PubChem CID102318875
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
SMILESC[C@H](O)[C@@H](C)C/C=C\C=C\c1ccccc1
InChIInChI=1S/C15H20O/c1-13(14(2)16)9-5-3-6-10-15-11-7-4-8-12-15/h3-8,10-14,16H,9H2,1-2H3/b5-3-,10-6+/t13-,14-/m0/s1
InChIKeyARROMLOSFCWJKF-CADGQSGLSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.66
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 (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol?
The IUPAC name of (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol (CID 102318875) is (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol.
What is the SMILES notation for (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol?
The canonical SMILES for (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol is C[C@H](O)[C@@H](C)C/C=C\C=C\c1ccccc1.
What is the InChIKey of (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol?
The InChIKey is ARROMLOSFCWJKF-CADGQSGLSA-N. The full InChI is InChI=1S/C15H20O/c1-13(14(2)16)9-5-3-6-10-15-11-7-4-8-12-15/h3-8,10-14,16H,9H2,1-2H3/b5-3-,10-6+/t13-,14-/m0/s1.
What are the key properties of (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol?
(2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol has a molecular weight of 216.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5Z,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol is sourced from PubChem (CID 102318875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).