4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan

C12H14O — CID 102302916

IUPAC4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan
SMILESC1#Cc2cocc2CCCCCC1
InChIInChI=1S/C12H14O/c1-2-4-6-8-12-10-13-9-11(12)7-5-3-1/h9-10H,1-5,7H2
InChIKeyUTFSJEMKICGRJB-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.14
Rot. Bonds

About 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan

4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan (PubChem CID 102302916) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan.

Molecular Properties

Compound Name4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan
PubChem CID102302916
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan
SMILESC1#Cc2cocc2CCCCCC1
InChIInChI=1S/C12H14O/c1-2-4-6-8-12-10-13-9-11(12)7-5-3-1/h9-10H,1-5,7H2
InChIKeyUTFSJEMKICGRJB-UHFFFAOYSA-N
XLogP3.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazine
CID 10844537
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
9,10-dimethylbicyclo[6.2.2]dodeca-1(10),8,11-triene
CID 15321172
9,10-didehydro-1,2,4,5,6,7,8,11,12,13,14,15-dodecahydrocyclopenta[14]annulen-3-one
CID 102053029
1,6-diazoniatricyclo[19.3.1.16,10]hexacosa-1(24),6,8,10(26),21(25),22-hexaen-11,19-diyne
CID 44580662
1,8-diazoniatricyclo[23.3.1.18,12]triaconta-1(28),8,10,12(30),25(29),26-hexaen-13,23-diyne
CID 46231621
1,13-diazoniatricyclo[28.3.1.113,17]pentatriaconta-1(33),13,15,17(35),30(34),31-hexaen-18,28-diyne
CID 46231681
1,2,3,4-tetrahydronaphthalene
CID 174531863
1-azacycloundec-9-yn-3-one
CID 87443606

Frequently Asked Questions

What is the IUPAC name of 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan?
The IUPAC name of 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan (CID 102302916) is 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan.
What is the SMILES notation for 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan?
The canonical SMILES for 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan is C1#Cc2cocc2CCCCCC1.
What is the InChIKey of 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan?
The InChIKey is UTFSJEMKICGRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-4-6-8-12-10-13-9-11(12)7-5-3-1/h9-10H,1-5,7H2.
What are the key properties of 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan?
4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan has a molecular weight of 174.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-didehydro-6,7,8,9,10,11-hexahydrocyclodeca[c]furan is sourced from PubChem (CID 102302916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).