2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan

C15H24O — CID 67599201

IUPAC2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
SMILESCC1CC2CCCCCCCC=CC=C2O1
InChIInChI=1S/C15H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h7,9,11,13-14H,2-6,8,10,12H2,1H3
InChIKeyJJGXAIKDZYAUKH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds

About 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan

2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan (PubChem CID 67599201) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan.

Molecular Properties

Compound Name2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
PubChem CID67599201
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
SMILESCC1CC2CCCCCCCC=CC=C2O1
InChIInChI=1S/C15H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h7,9,11,13-14H,2-6,8,10,12H2,1H3
InChIKeyJJGXAIKDZYAUKH-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
The IUPAC name of 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan (CID 67599201) is 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan.
What is the SMILES notation for 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
The canonical SMILES for 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan is CC1CC2CCCCCCCC=CC=C2O1.
What is the InChIKey of 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
The InChIKey is JJGXAIKDZYAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h7,9,11,13-14H,2-6,8,10,12H2,1H3.
What are the key properties of 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan has a molecular weight of 220.36 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan is sourced from PubChem (CID 67599201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).