8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran

C15H22O — CID 157035372

IUPAC8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran
SMILESCC(C)C1CCOC2=CC(C)(C)C=CC=C21
InChIInChI=1S/C15H22O/c1-11(2)12-7-9-16-14-10-15(3,4)8-5-6-13(12)14/h5-6,8,10-12H,7,9H2,1-4H3
InChIKeyHGZWCHVZSHFESR-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.09
Rot. Bonds1

About 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran

8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran (PubChem CID 157035372) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran.

Molecular Properties

Compound Name8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran
PubChem CID157035372
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran
SMILESCC(C)C1CCOC2=CC(C)(C)C=CC=C21
InChIInChI=1S/C15H22O/c1-11(2)12-7-9-16-14-10-15(3,4)8-5-6-13(12)14/h5-6,8,10-12H,7,9H2,1-4H3
InChIKeyHGZWCHVZSHFESR-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran?
The IUPAC name of 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran (CID 157035372) is 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran.
What is the SMILES notation for 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran?
The canonical SMILES for 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran is CC(C)C1CCOC2=CC(C)(C)C=CC=C21.
What is the InChIKey of 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran?
The InChIKey is HGZWCHVZSHFESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)12-7-9-16-14-10-15(3,4)8-5-6-13(12)14/h5-6,8,10-12H,7,9H2,1-4H3.
What are the key properties of 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran?
8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran has a molecular weight of 218.34 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyran is sourced from PubChem (CID 157035372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).