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

C14H24O — CID 15534198

IUPAC2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
SMILESC1CCCCCC2=C(CCCC1)CCO2
InChIInChI=1S/C14H24O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h1-12H2
InChIKeyIXVFFNMBUPXTLA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.58
Rot. Bonds

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

2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan (PubChem CID 15534198) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan.

Molecular Properties

Compound Name2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
PubChem CID15534198
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
SMILESC1CCCCCC2=C(CCCC1)CCO2
InChIInChI=1S/C14H24O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h1-12H2
InChIKeyIXVFFNMBUPXTLA-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Cyclododeca(b)pyran, 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-
CID 99563
14-Methyl-13-oxabicyclo[10.3.0]pentadec-1(12)-ene
CID 15534199
Benzofuran, 2,3,4,5,6,7-hexahydro-
CID 12222025
2,3,4,5,6,7-Hexahydrocyclopenta[b]pyran
CID 12514041
3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 12611640
2-Oxabicyclo[10.4.0]hexadec-1(12)-ene
CID 67015061
3-Methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
CID 90077856
4-Methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan
CID 91259153
1,2,4,5,6,7,8,9-Octahydro-3-benzoxepine
CID 154035630
10-Methyl-9-oxabicyclo[6.4.0]dodecan-1(8)-ene
CID 534431
5-Octyl-2,3-dihydrofuran
CID 11030457
Benzofuran, 2,3,4,5,6,7-hexahydro-2-methyl-
CID 12222029

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
The IUPAC name of 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan (CID 15534198) is 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan.
What is the SMILES notation for 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
The canonical SMILES for 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan is C1CCCCCC2=C(CCCC1)CCO2.
What is the InChIKey of 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
The InChIKey is IXVFFNMBUPXTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h1-12H2.
What are the key properties of 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan?
2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan has a molecular weight of 208.34 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclododeca[b]furan is sourced from PubChem (CID 15534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).