(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde

C15H24O — CID 162898555

IUPAC(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde
SMILESCC1(C)CCC[C@]23C[C@@](C)(CC[C@@H]12)[C@H]3C=O
InChIInChI=1S/C15H24O/c1-13(2)6-4-7-15-10-14(3,12(15)9-16)8-5-11(13)15/h9,11-12H,4-8,10H2,1-3H3/t11-,12+,14+,15-/m0/s1
InChIKeyGDTCRHYZPCTDEY-MXYBEHONSA-N
MW220.36 g/mol
LogP3.82
Rot. Bonds1

About (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde

(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde (PubChem CID 162898555) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde.

Molecular Properties

Compound Name(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde
PubChem CID162898555
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde
SMILESCC1(C)CCC[C@]23C[C@@](C)(CC[C@@H]12)[C@H]3C=O
InChIInChI=1S/C15H24O/c1-13(2)6-4-7-15-10-14(3,12(15)9-16)8-5-11(13)15/h9,11-12H,4-8,10H2,1-3H3/t11-,12+,14+,15-/m0/s1
InChIKeyGDTCRHYZPCTDEY-MXYBEHONSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde?
The IUPAC name of (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde (CID 162898555) is (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde.
What is the SMILES notation for (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde?
The canonical SMILES for (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde is CC1(C)CCC[C@]23C[C@@](C)(CC[C@@H]12)[C@H]3C=O.
What is the InChIKey of (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde?
The InChIKey is GDTCRHYZPCTDEY-MXYBEHONSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)6-4-7-15-10-14(3,12(15)9-16)8-5-11(13)15/h9,11-12H,4-8,10H2,1-3H3/t11-,12+,14+,15-/m0/s1.
What are the key properties of (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde?
(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde is sourced from PubChem (CID 162898555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).