4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran

C14H24O — CID 596549

IUPAC4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
SMILESCC1CCOC2=C1CCCCCCCC2
InChIInChI=1S/C14H24O/c1-12-10-11-15-14-9-7-5-3-2-4-6-8-13(12)14/h12H,2-11H2,1H3
InChIKeyZQKBKYQOZWNWME-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.43
Rot. Bonds

About 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran

4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran (PubChem CID 596549) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran.

Molecular Properties

Compound Name4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
PubChem CID596549
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
SMILESCC1CCOC2=C1CCCCCCCC2
InChIInChI=1S/C14H24O/c1-12-10-11-15-14-9-7-5-3-2-4-6-8-13(12)14/h12H,2-11H2,1H3
InChIKeyZQKBKYQOZWNWME-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
The IUPAC name of 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran (CID 596549) is 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran.
What is the SMILES notation for 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
The canonical SMILES for 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran is CC1CCOC2=C1CCCCCCCC2.
What is the InChIKey of 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
The InChIKey is ZQKBKYQOZWNWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-12-10-11-15-14-9-7-5-3-2-4-6-8-13(12)14/h12H,2-11H2,1H3.
What are the key properties of 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran?
4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran has a molecular weight of 208.34 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran is sourced from PubChem (CID 596549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).