2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran

C12H20O — CID 534431

IUPAC2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran
SMILESCC1CCC2=C(CCCCCC2)O1
InChIInChI=1S/C12H20O/c1-10-8-9-11-6-4-2-3-5-7-12(11)13-10/h10H,2-9H2,1H3
InChIKeyMHYWKJGVQWQQJX-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.79
Rot. Bonds

About 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran

2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran (PubChem CID 534431) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran.

Molecular Properties

Compound Name2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran
PubChem CID534431
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran
SMILESCC1CCC2=C(CCCCCC2)O1
InChIInChI=1S/C12H20O/c1-10-8-9-11-6-4-2-3-5-7-12(11)13-10/h10H,2-9H2,1H3
InChIKeyMHYWKJGVQWQQJX-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran?
The IUPAC name of 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran (CID 534431) is 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran.
What is the SMILES notation for 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran?
The canonical SMILES for 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran is CC1CCC2=C(CCCCCC2)O1.
What is the InChIKey of 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran?
The InChIKey is MHYWKJGVQWQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-8-9-11-6-4-2-3-5-7-12(11)13-10/h10H,2-9H2,1H3.
What are the key properties of 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran?
2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran has a molecular weight of 180.29 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b]pyran is sourced from PubChem (CID 534431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).