4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran

C20H22O — CID 88950265

IUPAC4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran
SMILESC/C=C(C)\C=C/C(C)C1=CCCc2c1oc1ccccc21
InChIInChI=1S/C20H22O/c1-4-14(2)12-13-15(3)16-9-7-10-18-17-8-5-6-11-19(17)21-20(16)18/h4-6,8-9,11-13,15H,7,10H2,1-3H3/b13-12-,14-4-
InChIKeyUKUJBQPNVDUTHM-FKLDUZTJSA-N
MW278.40 g/mol
LogP5.92
Rot. Bonds3

About 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran

4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran (PubChem CID 88950265) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran.

Molecular Properties

Compound Name4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran
PubChem CID88950265
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran
SMILESC/C=C(C)\C=C/C(C)C1=CCCc2c1oc1ccccc21
InChIInChI=1S/C20H22O/c1-4-14(2)12-13-15(3)16-9-7-10-18-17-8-5-6-11-19(17)21-20(16)18/h4-6,8-9,11-13,15H,7,10H2,1-3H3/b13-12-,14-4-
InChIKeyUKUJBQPNVDUTHM-FKLDUZTJSA-N
XLogP5.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.92
H-Bond Donors ≤ 50
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 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran?
The IUPAC name of 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran (CID 88950265) is 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran.
What is the SMILES notation for 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran?
The canonical SMILES for 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran is C/C=C(C)\C=C/C(C)C1=CCCc2c1oc1ccccc21.
What is the InChIKey of 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran?
The InChIKey is UKUJBQPNVDUTHM-FKLDUZTJSA-N. The full InChI is InChI=1S/C20H22O/c1-4-14(2)12-13-15(3)16-9-7-10-18-17-8-5-6-11-19(17)21-20(16)18/h4-6,8-9,11-13,15H,7,10H2,1-3H3/b13-12-,14-4-.
What are the key properties of 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran?
4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran has a molecular weight of 278.40 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-5-methylhepta-3,5-dien-2-yl]-1,2-dihydrodibenzofuran is sourced from PubChem (CID 88950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).