2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal

C15H22O — CID 6428370

IUPAC2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal
SMILESCC(C=O)C1CCC2(C)[C@H]3CC4C(C13)[C@@]42C
InChIInChI=1S/C15H22O/c1-8(7-16)9-4-5-14(2)10-6-11-13(12(9)10)15(11,14)3/h7-13H,4-6H2,1-3H3/t8?,9?,10-,11?,12?,13?,14?,15+/m0/s1
InChIKeyJLHUXFWGEBRDST-RJLWODDMSA-N
MW218.34 g/mol
LogP3.14
Rot. Bonds2

About 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal

2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal (PubChem CID 6428370) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal.

Molecular Properties

Compound Name2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal
PubChem CID6428370
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal
SMILESCC(C=O)C1CCC2(C)[C@H]3CC4C(C13)[C@@]42C
InChIInChI=1S/C15H22O/c1-8(7-16)9-4-5-14(2)10-6-11-13(12(9)10)15(11,14)3/h7-13H,4-6H2,1-3H3/t8?,9?,10-,11?,12?,13?,14?,15+/m0/s1
InChIKeyJLHUXFWGEBRDST-RJLWODDMSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.14
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 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal?
The IUPAC name of 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal (CID 6428370) is 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal.
What is the SMILES notation for 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal?
The canonical SMILES for 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal is CC(C=O)C1CCC2(C)[C@H]3CC4C(C13)[C@@]42C.
What is the InChIKey of 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal?
The InChIKey is JLHUXFWGEBRDST-RJLWODDMSA-N. The full InChI is InChI=1S/C15H22O/c1-8(7-16)9-4-5-14(2)10-6-11-13(12(9)10)15(11,14)3/h7-13H,4-6H2,1-3H3/t8?,9?,10-,11?,12?,13?,14?,15+/m0/s1.
What are the key properties of 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal?
2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal has a molecular weight of 218.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S,8S)-1,2-dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl]propanal is sourced from PubChem (CID 6428370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).