7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane

C14H22O — CID 143072426

IUPAC7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
SMILESCC.CC1(C)C=CC2=C(C=C1)OCCC2
InChIInChI=1S/C12H16O.C2H6/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12;1-2/h5-8H,3-4,9H2,1-2H3;1-2H3
InChIKeyBHNJSVXAIHIOJQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.23
Rot. Bonds

About 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane

7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane (PubChem CID 143072426) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane.

Molecular Properties

Compound Name7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
PubChem CID143072426
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane
SMILESCC.CC1(C)C=CC2=C(C=C1)OCCC2
InChIInChI=1S/C12H16O.C2H6/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12;1-2/h5-8H,3-4,9H2,1-2H3;1-2H3
InChIKeyBHNJSVXAIHIOJQ-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-2H-thiepino[4,5-b]pyran
CID 170000410
2,2-difluoro-6,6-dimethyl-3H-cyclohepta[b]furan
CID 143598103
7,7-dimethyl-2,3-dihydrocyclohepta[b][1,4]oxathiine
CID 143422485
7,7-dimethyl-4H-cyclohepta[b]pyran
CID 163798911
(2S)-2,6,6-trimethyl-2,3-dihydrocyclohepta[b]furan
CID 154685717
2,2,3,3-tetrafluoro-7,7-dimethylcyclohepta[b][1,4]dioxine
CID 143542265
10,10-dimethyl-4-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 139569197
6,6-dimethyl-2,3-dihydrofuro[2,3-b]azepine
CID 155204466
ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
CID 144813213
4,7,7-trimethyl-2,3-dihydro-[1,4]oxazino[3,2-b]azepine
CID 170582186
6,6,14,14-tetramethyl-2-azatricyclo[9.5.0.03,9]hexadeca-1(11),3(9),4,7,12,15-hexaene
CID 145008572
4,7,7-trimethyl-3,4-dihydro-2H-cyclohepta[b]pyran-3-ol
CID 142065636

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane?
The IUPAC name of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane (CID 143072426) is 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane.
What is the SMILES notation for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane?
The canonical SMILES for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane is CC.CC1(C)C=CC2=C(C=C1)OCCC2.
What is the InChIKey of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane?
The InChIKey is BHNJSVXAIHIOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H6/c1-12(2)7-5-10-4-3-9-13-11(10)6-8-12;1-2/h5-8H,3-4,9H2,1-2H3;1-2H3.
What are the key properties of 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane?
7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane has a molecular weight of 206.33 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]pyran;ethane is sourced from PubChem (CID 143072426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).