7,7-dimethyl-4H-cyclohepta[b]pyran

C12H14O — CID 163798911

IUPAC7,7-dimethyl-4H-cyclohepta[b]pyran
SMILESCC1(C)C=CC2=C(C=C1)OC=CC2
InChIInChI=1S/C12H14O/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12/h3,5-9H,4H2,1-2H3
InChIKeyNDGHQHBGYQTKKC-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.33
Rot. Bonds

About 7,7-dimethyl-4H-cyclohepta[b]pyran

7,7-dimethyl-4H-cyclohepta[b]pyran (PubChem CID 163798911) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7,7-dimethyl-4H-cyclohepta[b]pyran.

Molecular Properties

Compound Name7,7-dimethyl-4H-cyclohepta[b]pyran
PubChem CID163798911
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7,7-dimethyl-4H-cyclohepta[b]pyran
SMILESCC1(C)C=CC2=C(C=C1)OC=CC2
InChIInChI=1S/C12H14O/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12/h3,5-9H,4H2,1-2H3
InChIKeyNDGHQHBGYQTKKC-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103
(2S)-2,6,6-trimethyl-2,3-dihydrocyclohepta[b]furan
CID 154685717
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
CID 143072426
10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 139569197
2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
CID 143542265
6,6,14,14-tetramethyl-2-azatricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene
CID 145008572
6,6-dimethyl-1,3-dihydrocyclohepta[b]pyrrol-2-one;ethane
CID 155716963
7,7-dimethyl-2,3-dihydrocyclohepta[b][1,4]oxathiine
CID 143422485
4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
CID 142065636
7-tert-butyl-7-methyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 138480604
3H-furan-2-one
CID 158499564
3H-furan-2-one
CID 140988440

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4H-cyclohepta[b]pyran?
The IUPAC name of 7,7-dimethyl-4H-cyclohepta[b]pyran (CID 163798911) is 7,7-dimethyl-4H-cyclohepta[b]pyran.
What is the SMILES notation for 7,7-dimethyl-4H-cyclohepta[b]pyran?
The canonical SMILES for 7,7-dimethyl-4H-cyclohepta[b]pyran is CC1(C)C=CC2=C(C=C1)OC=CC2.
What is the InChIKey of 7,7-dimethyl-4H-cyclohepta[b]pyran?
The InChIKey is NDGHQHBGYQTKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12/h3,5-9H,4H2,1-2H3.
What are the key properties of 7,7-dimethyl-4H-cyclohepta[b]pyran?
7,7-dimethyl-4H-cyclohepta[b]pyran has a molecular weight of 174.24 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4H-cyclohepta[b]pyran is sourced from PubChem (CID 163798911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).