(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde

C14H18O — CID 14963826

IUPAC(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
SMILESCCC[C@]1(C=O)CCCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-9-14(11-15)10-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11H,2,5,7,9-10H2,1H3/t14-/m1/s1
InChIKeyIYZMTQRZTDQAKY-CQSZACIVSA-N
MW202.30 g/mol
LogP3.26
Rot. Bonds3

About (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde

(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde (PubChem CID 14963826) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
PubChem CID14963826
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
SMILESCCC[C@]1(C=O)CCCc2ccccc21
InChIInChI=1S/C14H18O/c1-2-9-14(11-15)10-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11H,2,5,7,9-10H2,1H3/t14-/m1/s1
InChIKeyIYZMTQRZTDQAKY-CQSZACIVSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.26
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

N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861
1-(chloromethyl)-2,3-dihydroindene-1-carbaldehyde
CID 130640609
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
4,4-diethyl-2,3-dihydro-1H-naphthalene
CID 520431
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
4-(chloromethyl)-4-(2-propylsulfonylethyl)-2,3-dihydro-1H-naphthalene
CID 106734497
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
4-(bromomethyl)-4-heptyl-2,3-dihydro-1H-naphthalene
CID 66047892
4-(bromomethyl)-4-nonyl-2,3-dihydro-1H-naphthalene
CID 66047893
(1S)-1-propyl-4H-naphthalene-1-carbaldehyde
CID 11008955
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
ethane;2-[1-(methylaminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]acetaldehyde
CID 163377790

Frequently Asked Questions

What is the IUPAC name of (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The IUPAC name of (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde (CID 14963826) is (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde is CCC[C@]1(C=O)CCCc2ccccc21.
What is the InChIKey of (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The InChIKey is IYZMTQRZTDQAKY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18O/c1-2-9-14(11-15)10-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11H,2,5,7,9-10H2,1H3/t14-/m1/s1.
What are the key properties of (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
(1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde has a molecular weight of 202.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-propyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 14963826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).