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

C14H26O — CID 14687820

IUPAC2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
SMILESC1CCCCCC2OCCC2CCCC1
InChIInChI=1S/C14H26O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h13-14H,1-12H2
InChIKeyBXUHYORBIXEKMH-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.31
Rot. Bonds

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

2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan (PubChem CID 14687820) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
PubChem CID14687820
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan
SMILESC1CCCCCC2OCCC2CCCC1
InChIInChI=1S/C14H26O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h13-14H,1-12H2
InChIKeyBXUHYORBIXEKMH-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
The IUPAC name of 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan (CID 14687820) is 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan.
What is the SMILES notation for 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
The canonical SMILES for 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan is C1CCCCCC2OCCC2CCCC1.
What is the InChIKey of 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
The InChIKey is BXUHYORBIXEKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h13-14H,1-12H2.
What are the key properties of 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan?
2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan has a molecular weight of 210.36 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclododeca[b]furan is sourced from PubChem (CID 14687820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).