6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene

C15H22O — CID 121362306

IUPAC6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene
SMILESC=CCC1C=CC2(CC=C)OCCCC2C1
InChIInChI=1S/C15H22O/c1-3-6-13-8-10-15(9-4-2)14(12-13)7-5-11-16-15/h3-4,8,10,13-14H,1-2,5-7,9,11-12H2
InChIKeyHHSCZMXARQHEQS-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.88
Rot. Bonds4

About 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene

6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene (PubChem CID 121362306) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene.

Molecular Properties

Compound Name6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene
PubChem CID121362306
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene
SMILESC=CCC1C=CC2(CC=C)OCCCC2C1
InChIInChI=1S/C15H22O/c1-3-6-13-8-10-15(9-4-2)14(12-13)7-5-11-16-15/h3-4,8,10,13-14H,1-2,5-7,9,11-12H2
InChIKeyHHSCZMXARQHEQS-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
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 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene?
The IUPAC name of 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene (CID 121362306) is 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene.
What is the SMILES notation for 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene?
The canonical SMILES for 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene is C=CCC1C=CC2(CC=C)OCCCC2C1.
What is the InChIKey of 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene?
The InChIKey is HHSCZMXARQHEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-6-13-8-10-15(9-4-2)14(12-13)7-5-11-16-15/h3-4,8,10,13-14H,1-2,5-7,9,11-12H2.
What are the key properties of 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene?
6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene has a molecular weight of 218.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8a-bis(prop-2-enyl)-2,3,4,4a,5,6-hexahydrochromene is sourced from PubChem (CID 121362306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).