8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran

C11H14O — CID 142860148

IUPAC8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESCC1C=CC=C2CCCOC2=C1
InChIInChI=1S/C11H14O/c1-9-4-2-5-10-6-3-7-12-11(10)8-9/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyDNFKGIQSMPPSQE-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.81
Rot. Bonds

About 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran

8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran (PubChem CID 142860148) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran.

Molecular Properties

Compound Name8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran
PubChem CID142860148
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESCC1C=CC=C2CCCOC2=C1
InChIInChI=1S/C11H14O/c1-9-4-2-5-10-6-3-7-12-11(10)8-9/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyDNFKGIQSMPPSQE-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-Fluoro-2,3-dimethylidenehex-4-enylidene)-2-methylideneoxane
CID 123415534
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylideneoxane
CID 130348443
(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane
CID 134289672
6-Fluoro-3,7-dimethyl-2,3,4,7-tetrahydrocyclohepta[b]pyran
CID 143728627
(3Z)-3-(2-fluoroprop-2-enylidene)-2-methylideneoxane
CID 143774593
(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane
CID 143774621
(3Z)-3-(2-fluoroprop-2-enylidene)-4-methyl-2-methylideneoxane
CID 143774732
(2E,3Z)-2-ethylidene-3-(2-fluoroprop-2-enylidene)-4-methyloxane
CID 143857711
(3E)-3-(1-fluoro-2-methylprop-2-enylidene)-2-methylideneoxane
CID 144499439
8-Fluoro-5-(fluoromethyl)-2,3,4,6-tetrahydrocyclohepta[b]pyran
CID 169597255

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The IUPAC name of 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran (CID 142860148) is 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran.
What is the SMILES notation for 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The canonical SMILES for 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran is CC1C=CC=C2CCCOC2=C1.
What is the InChIKey of 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The InChIKey is DNFKGIQSMPPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9-4-2-5-10-6-3-7-12-11(10)8-9/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran has a molecular weight of 162.23 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran is sourced from PubChem (CID 142860148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).