(8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran

C20H30O — CID 130271398

IUPAC(8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran
SMILESCC(C)[C@]1(C)C=CC=C2C(=C1)OC(C)(C)C=C2C(C)(C)C
InChIInChI=1S/C20H30O/c1-14(2)20(8)11-9-10-15-16(18(3,4)5)12-19(6,7)21-17(15)13-20/h9-14H,1-8H3/t20-/m1/s1
InChIKeyCOIWQKYOHRVELD-HXUWFJFHSA-N
MW286.46 g/mol
LogP5.81
Rot. Bonds1

About (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran

(8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran (PubChem CID 130271398) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran.

Molecular Properties

Compound Name(8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran
PubChem CID130271398
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran
SMILESCC(C)[C@]1(C)C=CC=C2C(=C1)OC(C)(C)C=C2C(C)(C)C
InChIInChI=1S/C20H30O/c1-14(2)20(8)11-9-10-15-16(18(3,4)5)12-19(6,7)21-17(15)13-20/h9-14H,1-8H3/t20-/m1/s1
InChIKeyCOIWQKYOHRVELD-HXUWFJFHSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran?
The IUPAC name of (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran (CID 130271398) is (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran.
What is the SMILES notation for (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran?
The canonical SMILES for (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran is CC(C)[C@]1(C)C=CC=C2C(=C1)OC(C)(C)C=C2C(C)(C)C.
What is the InChIKey of (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran?
The InChIKey is COIWQKYOHRVELD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)20(8)11-9-10-15-16(18(3,4)5)12-19(6,7)21-17(15)13-20/h9-14H,1-8H3/t20-/m1/s1.
What are the key properties of (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran?
(8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran has a molecular weight of 286.46 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-tert-butyl-2,2,8-trimethyl-8-propan-2-ylcyclohepta[b]pyran is sourced from PubChem (CID 130271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).