(2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene

C15H24O — CID 24763559

IUPAC(2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene
SMILESC=C[C@]1(C)CC[C@H]2C(C)=CC[C@@H](C)[C@]2(C)O1
InChIInChI=1S/C15H24O/c1-6-14(4)10-9-13-11(2)7-8-12(3)15(13,5)16-14/h6-7,12-13H,1,8-10H2,2-5H3/t12-,13+,14-,15+/m1/s1
InChIKeyRZQBHTGTGZGNFA-BARDWOONSA-N
MW220.36 g/mol
LogP4.10
Rot. Bonds1

About (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene

(2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene (PubChem CID 24763559) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene.

Molecular Properties

Compound Name(2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene
PubChem CID24763559
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene
SMILESC=C[C@]1(C)CC[C@H]2C(C)=CC[C@@H](C)[C@]2(C)O1
InChIInChI=1S/C15H24O/c1-6-14(4)10-9-13-11(2)7-8-12(3)15(13,5)16-14/h6-7,12-13H,1,8-10H2,2-5H3/t12-,13+,14-,15+/m1/s1
InChIKeyRZQBHTGTGZGNFA-BARDWOONSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.10
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 (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene?
The IUPAC name of (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene (CID 24763559) is (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene.
What is the SMILES notation for (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene?
The canonical SMILES for (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene is C=C[C@]1(C)CC[C@H]2C(C)=CC[C@@H](C)[C@]2(C)O1.
What is the InChIKey of (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene?
The InChIKey is RZQBHTGTGZGNFA-BARDWOONSA-N. The full InChI is InChI=1S/C15H24O/c1-6-14(4)10-9-13-11(2)7-8-12(3)15(13,5)16-14/h6-7,12-13H,1,8-10H2,2-5H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene?
(2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene has a molecular weight of 220.36 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,8R,8aS)-2-ethenyl-2,5,8,8a-tetramethyl-4,4a,7,8-tetrahydro-3H-chromene is sourced from PubChem (CID 24763559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).