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

C14H22O — CID 70001355

IUPAC2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
SMILESC1=CCCCCCCCC2CCOC2=C1
InChIInChI=1S/C14H22O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h6,8,10,13H,1-5,7,9,11-12H2
InChIKeyHGNPUMIUAHOBIO-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds

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

2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan (PubChem CID 70001355) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
PubChem CID70001355
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan
SMILESC1=CCCCCCCCC2CCOC2=C1
InChIInChI=1S/C14H22O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h6,8,10,13H,1-5,7,9,11-12H2
InChIKeyHGNPUMIUAHOBIO-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3a,4,5,6,7,8,9,10,11,13a-Dodecahydrocyclododeca(c)furan
CID 5750515
14-Oxabicyclo[10.3.0]pentadec-10-ene
CID 103490
10-Ethoxy-1,5,10-trimethylcyclododecadiene
CID 44148878
(4Z)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 5937114
1-(2-Cyclopentylethoxy)-3-fluorocyclohexa-1,3-diene
CID 71062125
2-(2-Fluoro-2-methylpropyl)-3-methyl-2,3,3a,4-tetrahydro-1-benzofuran
CID 153963264
(2S,3R)-2-butyl-3-[(1E)-2-methylbuta-1,3-dienyl]oxolane
CID 134968921
(2S,3R)-3-[(1E)-2-methylbuta-1,3-dienyl]-2-(2-methylpropyl)oxolane
CID 134968959
(1Z,3E)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene
CID 6365749
(1E,3Z)-10-ethoxy-1,5,10-trimethylcyclododeca-1,3-diene
CID 20836190
1-[(2S)-2,3-dimethylbut-3-enyl]-4-(1-fluoroethoxy)cyclohexa-1,3-diene
CID 172238174
2-(Cyclopenta-2,4-dien-1-ylmethyl)oxolane
CID 12977114

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
The IUPAC name of 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan (CID 70001355) is 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan.
What is the SMILES notation for 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
The canonical SMILES for 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan is C1=CCCCCCCCC2CCOC2=C1.
What is the InChIKey of 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
The InChIKey is HGNPUMIUAHOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-2-4-6-8-10-14-13(11-12-15-14)9-7-5-3-1/h6,8,10,13H,1-5,7,9,11-12H2.
What are the key properties of 2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan?
2,3,3a,4,5,6,7,8,9,10-decahydrocyclododeca[b]furan has a molecular weight of 206.33 g/mol, XLogP of 4.21, 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-decahydrocyclododeca[b]furan is sourced from PubChem (CID 70001355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).