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

C15H26O — CID 90077856

IUPAC3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
SMILESCC1COC2=C1CCCCCCCCCC2
InChIInChI=1S/C15H26O/c1-13-12-16-15-11-9-7-5-3-2-4-6-8-10-14(13)15/h13H,2-12H2,1H3
InChIKeyBNZWCMMTLYEIMG-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.82
Rot. Bonds

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

3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan (PubChem CID 90077856) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan.

Molecular Properties

Compound Name3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
PubChem CID90077856
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
SMILESCC1COC2=C1CCCCCCCCCC2
InChIInChI=1S/C15H26O/c1-13-12-16-15-11-9-7-5-3-2-4-6-8-10-14(13)15/h13H,2-12H2,1H3
InChIKeyBNZWCMMTLYEIMG-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
The IUPAC name of 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan (CID 90077856) is 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan.
What is the SMILES notation for 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
The canonical SMILES for 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan is CC1COC2=C1CCCCCCCCCC2.
What is the InChIKey of 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
The InChIKey is BNZWCMMTLYEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13-12-16-15-11-9-7-5-3-2-4-6-8-10-14(13)15/h13H,2-12H2,1H3.
What are the key properties of 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan has a molecular weight of 222.37 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan is sourced from PubChem (CID 90077856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).