ethane;2-ethylnaphthalene-1-carbaldehyde

C15H18O — CID 91261169

IUPACethane;2-ethylnaphthalene-1-carbaldehyde
SMILESCC.CCc1ccc2ccccc2c1C=O
InChIInChI=1S/C13H12O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)13(10)9-14;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyDVDHVXHIEMIKTG-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.24
Rot. Bonds2

About ethane;2-ethylnaphthalene-1-carbaldehyde

ethane;2-ethylnaphthalene-1-carbaldehyde (PubChem CID 91261169) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;2-ethylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Nameethane;2-ethylnaphthalene-1-carbaldehyde
PubChem CID91261169
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Nameethane;2-ethylnaphthalene-1-carbaldehyde
SMILESCC.CCc1ccc2ccccc2c1C=O
InChIInChI=1S/C13H12O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)13(10)9-14;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyDVDHVXHIEMIKTG-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
2-(5-phenylpentyl)naphthalene-1-carbaldehyde
CID 54567845
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-ethyl-1-[(E)-hex-1-enyl]naphthalene
CID 166460669
CID 173411630
CID 173411630
CID 69106852
CID 69106852
2-ethyl-1-(2-ethylnaphthalen-1-yl)oxynaphthalene
CID 23191166
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
2-(chloromethyl)naphthalene-1-carbaldehyde;quinolin-1-ium;chloride
CID 23358540
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylnaphthalene-1-carbaldehyde?
The IUPAC name of ethane;2-ethylnaphthalene-1-carbaldehyde (CID 91261169) is ethane;2-ethylnaphthalene-1-carbaldehyde.
What is the SMILES notation for ethane;2-ethylnaphthalene-1-carbaldehyde?
The canonical SMILES for ethane;2-ethylnaphthalene-1-carbaldehyde is CC.CCc1ccc2ccccc2c1C=O.
What is the InChIKey of ethane;2-ethylnaphthalene-1-carbaldehyde?
The InChIKey is DVDHVXHIEMIKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C2H6/c1-2-10-7-8-11-5-3-4-6-12(11)13(10)9-14;1-2/h3-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylnaphthalene-1-carbaldehyde?
ethane;2-ethylnaphthalene-1-carbaldehyde has a molecular weight of 214.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 91261169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).