(5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde

C16H26O2 — CID 134769391

IUPAC(5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde
SMILESCO[C@H]1CC[C@@]2(C)CC(C)(C)[C@@H]3CCC(C=O)C132
InChIInChI=1S/C16H26O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h9,11-13H,5-8,10H2,1-4H3/t11?,12-,13-,15-,16?/m0/s1
InChIKeyUAECGCRCKRSQPE-GKDSDUKGSA-N
MW250.38 g/mol
LogP3.44
Rot. Bonds2

About (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde

(5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde (PubChem CID 134769391) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde.

Molecular Properties

Compound Name(5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde
PubChem CID134769391
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde
SMILESCO[C@H]1CC[C@@]2(C)CC(C)(C)[C@@H]3CCC(C=O)C132
InChIInChI=1S/C16H26O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h9,11-13H,5-8,10H2,1-4H3/t11?,12-,13-,15-,16?/m0/s1
InChIKeyUAECGCRCKRSQPE-GKDSDUKGSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
The IUPAC name of (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde (CID 134769391) is (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde.
What is the SMILES notation for (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
The canonical SMILES for (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde is CO[C@H]1CC[C@@]2(C)CC(C)(C)[C@@H]3CCC(C=O)C132.
What is the InChIKey of (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
The InChIKey is UAECGCRCKRSQPE-GKDSDUKGSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(2)10-15(3)8-7-13(18-4)16(15)11(9-17)5-6-12(14)16/h9,11-13H,5-8,10H2,1-4H3/t11?,12-,13-,15-,16?/m0/s1.
What are the key properties of (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde?
(5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde has a molecular weight of 250.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S,11S)-11-methoxy-6,6,8-trimethyltricyclo[6.3.0.01,5]undecane-2-carbaldehyde is sourced from PubChem (CID 134769391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).