acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene

C31H54O2 — CID 158377760

IUPACacetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC=O.CC=O.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C9H10.2C2H4O.4C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;2*1-2-3;4*1-2/h1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;2*2H,1H3;4*1-2H3
InChIKeyGVKHUYWMMWOMAQ-UHFFFAOYSA-N
MW458.77 g/mol
LogP9.26
Rot. Bonds

About acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene

acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene (PubChem CID 158377760) has the molecular formula C31H54O2 and a molecular weight of 458.77 g/mol. Its IUPAC name is acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameacetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
PubChem CID158377760
Molecular FormulaC31H54O2
Molecular Weight458.77 g/mol
Exact Mass458.41
IUPAC Nameacetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC=O.CC=O.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C9H10.2C2H4O.4C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;2*1-2-3;4*1-2/h1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;2*2H,1H3;4*1-2H3
InChIKeyGVKHUYWMMWOMAQ-UHFFFAOYSA-N
XLogP9.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.77
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene (CID 158377760) is acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene is CC.CC.CC.CC.CC=O.CC=O.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.
What is the InChIKey of acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene?
The InChIKey is GVKHUYWMMWOMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10.2C2H4O.4C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;2*1-2-3;4*1-2/h1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;2*2H,1H3;4*1-2H3.
What are the key properties of acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene?
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 458.77 g/mol, XLogP of 9.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158377760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).