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

C13H20O — CID 143137863

IUPACethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESCC.CC1C=CC=C2CCCOC2=C1
InChIInChI=1S/C11H14O.C2H6/c1-9-4-2-5-10-6-3-7-12-11(10)8-9;1-2/h2,4-5,8-9H,3,6-7H2,1H3;1-2H3
InChIKeyDSXFSUGXNALHPI-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds

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

ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran (PubChem CID 143137863) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran.

Molecular Properties

Compound Nameethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran
PubChem CID143137863
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran
SMILESCC.CC1C=CC=C2CCCOC2=C1
InChIInChI=1S/C11H14O.C2H6/c1-9-4-2-5-10-6-3-7-12-11(10)8-9;1-2/h2,4-5,8-9H,3,6-7H2,1H3;1-2H3
InChIKeyDSXFSUGXNALHPI-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420
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
(2E,3Z)-2-ethylidene-3-(2-fluoroprop-2-enylidene)-4-methyloxane
CID 143857711
8-Fluoro-5-(fluoromethyl)-2,3,4,6-tetrahydrocyclohepta[b]pyran
CID 169597255
(6E,7Z,11Z)-7-ethyl-6-ethylidene-8-fluoro-3-methyl-5-prop-2-enoxytrideca-1,4,7,11-tetraene
CID 173949939
Tetrahydrocyclohepta[c]pyran
CID 129867178

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The IUPAC name of ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran (CID 143137863) is ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran.
What is the SMILES notation for ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The canonical SMILES for ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran is CC.CC1C=CC=C2CCCOC2=C1.
What is the InChIKey of ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
The InChIKey is DSXFSUGXNALHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-9-4-2-5-10-6-3-7-12-11(10)8-9;1-2/h2,4-5,8-9H,3,6-7H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran?
ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran has a molecular weight of 192.30 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2,3,4,8-tetrahydrocyclohepta[b]pyran is sourced from PubChem (CID 143137863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).