(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

C15H20O — CID 162949019

IUPAC(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCC(C)[C@H]1CC[C@H](C)c2ccc(C=O)cc21
InChIInChI=1S/C15H20O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-11,13H,4,6H2,1-3H3/t11-,13+/m0/s1
InChIKeyUCACDBOTALIOFA-WCQYABFASA-N
MW216.32 g/mol
LogP4.14
Rot. Bonds2

About (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 162949019) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
PubChem CID162949019
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
SMILESCC(C)[C@H]1CC[C@H](C)c2ccc(C=O)cc21
InChIInChI=1S/C15H20O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-11,13H,4,6H2,1-3H3/t11-,13+/m0/s1
InChIKeyUCACDBOTALIOFA-WCQYABFASA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde (CID 162949019) is (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is CC(C)[C@H]1CC[C@H](C)c2ccc(C=O)cc21.
What is the InChIKey of (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is UCACDBOTALIOFA-WCQYABFASA-N. The full InChI is InChI=1S/C15H20O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-11,13H,4,6H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde?
(5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 216.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-5-methyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 162949019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).