(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal

C15H24O — CID 163105278

IUPAC(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
SMILESC[C@H](C=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H](C3)[C@]12C
InChIInChI=1S/C15H24O/c1-10(9-16)13-6-7-14(2)11-4-5-12(8-11)15(13,14)3/h9-13H,4-8H2,1-3H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyNTBLMLGSBLTBPJ-RBTXIFOQSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds2

About (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal

(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal (PubChem CID 163105278) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal.

Molecular Properties

Compound Name(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
PubChem CID163105278
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal
SMILESC[C@H](C=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H](C3)[C@]12C
InChIInChI=1S/C15H24O/c1-10(9-16)13-6-7-14(2)11-4-5-12(8-11)15(13,14)3/h9-13H,4-8H2,1-3H3/t10-,11+,12-,13-,14-,15-/m1/s1
InChIKeyNTBLMLGSBLTBPJ-RBTXIFOQSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.67
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 (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal?
The IUPAC name of (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal (CID 163105278) is (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal.
What is the SMILES notation for (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal?
The canonical SMILES for (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal is C[C@H](C=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H](C3)[C@]12C.
What is the InChIKey of (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal?
The InChIKey is NTBLMLGSBLTBPJ-RBTXIFOQSA-N. The full InChI is InChI=1S/C15H24O/c1-10(9-16)13-6-7-14(2)11-4-5-12(8-11)15(13,14)3/h9-13H,4-8H2,1-3H3/t10-,11+,12-,13-,14-,15-/m1/s1.
What are the key properties of (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal?
(2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal has a molecular weight of 220.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R,3R,6R,7S)-2,6-dimethyl-3-tricyclo[5.2.1.02,6]decanyl]propanal is sourced from PubChem (CID 163105278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).