deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane

C32H62O — CID 162269581

IUPACdeuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
SMILESC.C.C.C=C.C=C.C=C.CC.CC.CC.[H][2H].c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2
InChIInChI=1S/C9H10.C8H8O.3C2H6.3C2H4.3CH4.H2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;6*1-2;;;;/h1-2,4-5H,3,6-7H2;1-4H,5-6H2;3*1-2H3;3*1-2H2;3*1H4;1H/i;;;;;;;;;;;1+1
InChIKeyREHYNXGVROUJQH-KBXBZICCSA-N
MW463.85 g/mol
LogP11.44
Rot. Bonds

About deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane

deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane (PubChem CID 162269581) has the molecular formula C32H62O and a molecular weight of 463.85 g/mol. Its IUPAC name is deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane.

Molecular Properties

Compound Namedeuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
PubChem CID162269581
Molecular FormulaC32H62O
Molecular Weight463.85 g/mol
Exact Mass463.49
IUPAC Namedeuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
SMILESC.C.C.C=C.C=C.C=C.CC.CC.CC.[H][2H].c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2
InChIInChI=1S/C9H10.C8H8O.3C2H6.3C2H4.3CH4.H2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;6*1-2;;;;/h1-2,4-5H,3,6-7H2;1-4H,5-6H2;3*1-2H3;3*1-2H2;3*1H4;1H/i;;;;;;;;;;;1+1
InChIKeyREHYNXGVROUJQH-KBXBZICCSA-N
XLogP11.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.85
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
2,3-dihydro-1-benzofuran;ethane
CID 54441538
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
3,4-dihydro-2H-chromene;ethane
CID 91076984
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499
CID 163793293
CID 163793293
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
3,4-dihydro-2H-chromene;naphthalene
CID 144745299

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane?
The IUPAC name of deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane (CID 162269581) is deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane.
What is the SMILES notation for deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane?
The canonical SMILES for deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane is C.C.C.C=C.C=C.C=C.CC.CC.CC.[H][2H].c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.
What is the InChIKey of deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane?
The InChIKey is REHYNXGVROUJQH-KBXBZICCSA-N. The full InChI is InChI=1S/C9H10.C8H8O.3C2H6.3C2H4.3CH4.H2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;6*1-2;;;;/h1-2,4-5H,3,6-7H2;1-4H,5-6H2;3*1-2H3;3*1-2H2;3*1H4;1H/i;;;;;;;;;;;1+1.
What are the key properties of deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane?
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane has a molecular weight of 463.85 g/mol, XLogP of 11.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane is sourced from PubChem (CID 162269581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).