1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol

C14H22O2 — CID 90870156

IUPAC1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol
SMILESC=CCCC(O)COCC(=C)C=CC=CC
InChIInChI=1S/C14H22O2/c1-4-6-8-9-13(3)11-16-12-14(15)10-7-5-2/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3
InChIKeyUGPWFYJDEFYCRZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.02
Rot. Bonds9

About 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol

1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol (PubChem CID 90870156) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol.

Molecular Properties

Compound Name1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol
PubChem CID90870156
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol
SMILESC=CCCC(O)COCC(=C)C=CC=CC
InChIInChI=1S/C14H22O2/c1-4-6-8-9-13(3)11-16-12-14(15)10-7-5-2/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3
InChIKeyUGPWFYJDEFYCRZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol?
The IUPAC name of 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol (CID 90870156) is 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol.
What is the SMILES notation for 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol?
The canonical SMILES for 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol is C=CCCC(O)COCC(=C)C=CC=CC.
What is the InChIKey of 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol?
The InChIKey is UGPWFYJDEFYCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-6-8-9-13(3)11-16-12-14(15)10-7-5-2/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3.
What are the key properties of 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol?
1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenehepta-3,5-dienoxy)hex-5-en-2-ol is sourced from PubChem (CID 90870156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).