(1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde

C14H16O — CID 11138116

IUPAC(1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde
SMILESCC[C@H]1C=Cc2ccccc2[C@@]1(C)C=O
InChIInChI=1S/C14H16O/c1-3-12-9-8-11-6-4-5-7-13(11)14(12,2)10-15/h4-10,12H,3H2,1-2H3/t12-,14-/m0/s1
InChIKeyXRSFDIFLLQRMEK-JSGCOSHPSA-N
MW200.28 g/mol
LogP3.20
Rot. Bonds2

About (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde

(1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde (PubChem CID 11138116) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde
PubChem CID11138116
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde
SMILESCC[C@H]1C=Cc2ccccc2[C@@]1(C)C=O
InChIInChI=1S/C14H16O/c1-3-12-9-8-11-6-4-5-7-13(11)14(12,2)10-15/h4-10,12H,3H2,1-2H3/t12-,14-/m0/s1
InChIKeyXRSFDIFLLQRMEK-JSGCOSHPSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.20
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

1',2',3',4'-tetraethyl-2-prop-2-enylspiro[2H-naphthalene-1,5'-cyclopenta-1,3-diene]
CID 11624124
7b-methyl-1,1a-dihydrocyclopropa[a]naphthalene
CID 142093034
1-methyl-2-octyl-N-phenyl-2H-naphthalen-1-amine
CID 176895478
6-bromo-9-methylbenzo[7]annulene-9-carbaldehyde
CID 13400882
(1S,2S)-2-methoxy-1-methyl-2H-naphthalen-1-ol
CID 45091466
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-2H-naphthalen-1-ol
CID 139949801
(8Z)-7,8-bis(ethenyl)-10,11,11-trimethyl-7,10-dihydrobenzo[9]annulene;ethane
CID 144857232
1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
CID 11845488
(8aR,9S)-9-methyl-8aH-anthracene-9-carboxylic acid
CID 124639726
2-ethyl-2H-thiochromene
CID 123384261
5,5,6-trimethylbenzo[7]annulene
CID 144827582
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde?
The IUPAC name of (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde (CID 11138116) is (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde is CC[C@H]1C=Cc2ccccc2[C@@]1(C)C=O.
What is the InChIKey of (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde?
The InChIKey is XRSFDIFLLQRMEK-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H16O/c1-3-12-9-8-11-6-4-5-7-13(11)14(12,2)10-15/h4-10,12H,3H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde?
(1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde has a molecular weight of 200.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-ethyl-1-methyl-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 11138116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).