1,2-bis(prop-2-enyl)-3,6-dihydrochrysene

C24H22 — CID 175323139

IUPAC1,2-bis(prop-2-enyl)-3,6-dihydrochrysene
SMILESC=CCC1=C(CC=C)c2ccc3c(c2=CC1)=CCc1ccccc1-3
InChIInChI=1S/C24H22/c1-3-7-17-11-13-23-21(19(17)8-4-2)15-16-22-20-10-6-5-9-18(20)12-14-24(22)23/h3-6,9-10,13-16H,1-2,7-8,11-12H2
InChIKeyVAJHPWXQLHGOJQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.78
Rot. Bonds4

About 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene

1,2-bis(prop-2-enyl)-3,6-dihydrochrysene (PubChem CID 175323139) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)-3,6-dihydrochrysene
PubChem CID175323139
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1,2-bis(prop-2-enyl)-3,6-dihydrochrysene
SMILESC=CCC1=C(CC=C)c2ccc3c(c2=CC1)=CCc1ccccc1-3
InChIInChI=1S/C24H22/c1-3-7-17-11-13-23-21(19(17)8-4-2)15-16-22-20-10-6-5-9-18(20)12-14-24(22)23/h3-6,9-10,13-16H,1-2,7-8,11-12H2
InChIKeyVAJHPWXQLHGOJQ-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene?
The IUPAC name of 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene (CID 175323139) is 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene.
What is the SMILES notation for 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene?
The canonical SMILES for 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene is C=CCC1=C(CC=C)c2ccc3c(c2=CC1)=CCc1ccccc1-3.
What is the InChIKey of 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene?
The InChIKey is VAJHPWXQLHGOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-3-7-17-11-13-23-21(19(17)8-4-2)15-16-22-20-10-6-5-9-18(20)12-14-24(22)23/h3-6,9-10,13-16H,1-2,7-8,11-12H2.
What are the key properties of 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene?
1,2-bis(prop-2-enyl)-3,6-dihydrochrysene has a molecular weight of 310.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)-3,6-dihydrochrysene is sourced from PubChem (CID 175323139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).