2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan

C15H28O — CID 11085454

IUPAC2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
SMILESCC1CC2CCCCCCCCCCC2O1
InChIInChI=1S/C15H28O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h13-15H,2-12H2,1H3
InChIKeyGYUGXFDKYNWRDY-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.69
Rot. Bonds

About 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan

2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan (PubChem CID 11085454) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan.

Molecular Properties

Compound Name2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
PubChem CID11085454
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
SMILESCC1CC2CCCCCCCCCCC2O1
InChIInChI=1S/C15H28O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h13-15H,2-12H2,1H3
InChIKeyGYUGXFDKYNWRDY-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.69
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,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
The IUPAC name of 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan (CID 11085454) is 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan.
What is the SMILES notation for 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
The canonical SMILES for 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan is CC1CC2CCCCCCCCCCC2O1.
What is the InChIKey of 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
The InChIKey is GYUGXFDKYNWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16-13/h13-15H,2-12H2,1H3.
What are the key properties of 2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
2-methyl-2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan has a molecular weight of 224.39 g/mol, XLogP of 4.69, 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,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan is sourced from PubChem (CID 11085454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).