(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran

C14H18O — CID 162403596

IUPAC(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran
SMILESC=C[C@H]1[C@H]2CC=CC[C@H]2[C@H]2C=CCO[C@@H]21
InChIInChI=1S/C14H18O/c1-2-10-11-6-3-4-7-12(11)13-8-5-9-15-14(10)13/h2-5,8,10-14H,1,6-7,9H2/t10-,11+,12+,13+,14+/m0/s1
InChIKeyDJGGVKPEEBUTBP-RYMFRWLXSA-N
MW202.30 g/mol
LogP2.96
Rot. Bonds1

About (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran

(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran (PubChem CID 162403596) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran.

Molecular Properties

Compound Name(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran
PubChem CID162403596
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran
SMILESC=C[C@H]1[C@H]2CC=CC[C@H]2[C@H]2C=CCO[C@@H]21
InChIInChI=1S/C14H18O/c1-2-10-11-6-3-4-7-12(11)13-8-5-9-15-14(10)13/h2-5,8,10-14H,1,6-7,9H2/t10-,11+,12+,13+,14+/m0/s1
InChIKeyDJGGVKPEEBUTBP-RYMFRWLXSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.96
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 (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran?
The IUPAC name of (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran (CID 162403596) is (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran.
What is the SMILES notation for (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran?
The canonical SMILES for (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran is C=C[C@H]1[C@H]2CC=CC[C@H]2[C@H]2C=CCO[C@@H]21.
What is the InChIKey of (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran?
The InChIKey is DJGGVKPEEBUTBP-RYMFRWLXSA-N. The full InChI is InChI=1S/C14H18O/c1-2-10-11-6-3-4-7-12(11)13-8-5-9-15-14(10)13/h2-5,8,10-14H,1,6-7,9H2/t10-,11+,12+,13+,14+/m0/s1.
What are the key properties of (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran?
(4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran has a molecular weight of 202.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,4bR,8aS,9S,9aR)-9-ethenyl-2,4a,4b,5,8,8a,9,9a-octahydroindeno[2,1-b]pyran is sourced from PubChem (CID 162403596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).