(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol

C16H22O — CID 102331982

IUPAC(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol
SMILESCC(C)=CCCC(C)(O)/C=C/c1ccccc1
InChIInChI=1S/C16H22O/c1-14(2)8-7-12-16(3,17)13-11-15-9-5-4-6-10-15/h4-6,8-11,13,17H,7,12H2,1-3H3/b13-11+
InChIKeyOJVURMQAOPQVKO-ACCUITESSA-N
MW230.35 g/mol
LogP4.20
Rot. Bonds5

About (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol

(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol (PubChem CID 102331982) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol
PubChem CID102331982
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol
SMILESCC(C)=CCCC(C)(O)/C=C/c1ccccc1
InChIInChI=1S/C16H22O/c1-14(2)8-7-12-16(3,17)13-11-15-9-5-4-6-10-15/h4-6,8-11,13,17H,7,12H2,1-3H3/b13-11+
InChIKeyOJVURMQAOPQVKO-ACCUITESSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol?
The IUPAC name of (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol (CID 102331982) is (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol.
What is the SMILES notation for (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol?
The canonical SMILES for (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol is CC(C)=CCCC(C)(O)/C=C/c1ccccc1.
What is the InChIKey of (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol?
The InChIKey is OJVURMQAOPQVKO-ACCUITESSA-N. The full InChI is InChI=1S/C16H22O/c1-14(2)8-7-12-16(3,17)13-11-15-9-5-4-6-10-15/h4-6,8-11,13,17H,7,12H2,1-3H3/b13-11+.
What are the key properties of (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol?
(1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol has a molecular weight of 230.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3,7-dimethyl-1-phenylocta-1,6-dien-3-ol is sourced from PubChem (CID 102331982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).