acetylene;4,5,6,7-tetrahydro-1-benzofuran

C10H12O — CID 142194982

IUPACacetylene;4,5,6,7-tetrahydro-1-benzofuran
SMILESC#C.c1cc2c(o1)CCCC2
InChIInChI=1S/C8H10O.C2H2/c1-2-4-8-7(3-1)5-6-9-8;1-2/h5-6H,1-4H2;1-2H
InChIKeyNMAAPBCOPGBFPV-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.41
Rot. Bonds

About acetylene;4,5,6,7-tetrahydro-1-benzofuran

acetylene;4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 142194982) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is acetylene;4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Nameacetylene;4,5,6,7-tetrahydro-1-benzofuran
PubChem CID142194982
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Nameacetylene;4,5,6,7-tetrahydro-1-benzofuran
SMILESC#C.c1cc2c(o1)CCCC2
InChIInChI=1S/C8H10O.C2H2/c1-2-4-8-7(3-1)5-6-9-8;1-2/h5-6H,1-4H2;1-2H
InChIKeyNMAAPBCOPGBFPV-UHFFFAOYSA-N
XLogP2.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.41
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

5,6-dihydro-4H-cyclopenta[b]furan;ethane
CID 91348632
4,7-dihydrofuro[2,3-d][1,2]dioxine
CID 10396846
(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 128714957
5-ethyl-6,7-dihydro-4H-furo[3,2-c]pyridine;propane
CID 144702906
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
(7R)-4,5,6,7-tetrahydro-1-benzofuran-7-ol
CID 130671391
ethane;4-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 123540152
2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167859052
(3Z)-3-(6,7-dihydro-5H-1-benzofuran-4-ylidene)propan-1-amine
CID 115467399
1,2,3,4-tetrahydronaphthalene
CID 174531863
butyl 4,5,6,8-tetrahydrofuro[2,3-c]azepine-7-carboxylate
CID 67696630
4,5,6,7-tetrahydro-2H-1-benzofuran-2-ide;yttrium
CID 135039660

Frequently Asked Questions

What is the IUPAC name of acetylene;4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of acetylene;4,5,6,7-tetrahydro-1-benzofuran (CID 142194982) is acetylene;4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for acetylene;4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for acetylene;4,5,6,7-tetrahydro-1-benzofuran is C#C.c1cc2c(o1)CCCC2.
What is the InChIKey of acetylene;4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is NMAAPBCOPGBFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C2H2/c1-2-4-8-7(3-1)5-6-9-8;1-2/h5-6H,1-4H2;1-2H.
What are the key properties of acetylene;4,5,6,7-tetrahydro-1-benzofuran?
acetylene;4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 148.20 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 142194982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).