(1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde

C11H16O2 — CID 163093890

IUPAC(1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
SMILESC=C1[C@H]2CC[C@](C=O)([C@@H]2O)C1(C)C
InChIInChI=1S/C11H16O2/c1-7-8-4-5-11(6-12,9(8)13)10(7,2)3/h6,8-9,13H,1,4-5H2,2-3H3/t8-,9-,11+/m1/s1
InChIKeyZODZTNJOESLXCW-KKZNHRDASA-N
MW180.25 g/mol
LogP1.54
Rot. Bonds1

About (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde

(1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde (PubChem CID 163093890) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
PubChem CID163093890
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde
SMILESC=C1[C@H]2CC[C@](C=O)([C@@H]2O)C1(C)C
InChIInChI=1S/C11H16O2/c1-7-8-4-5-11(6-12,9(8)13)10(7,2)3/h6,8-9,13H,1,4-5H2,2-3H3/t8-,9-,11+/m1/s1
InChIKeyZODZTNJOESLXCW-KKZNHRDASA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde with MolForge

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Related Compounds

1-(3-Hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl)ethanone
CID 12308852
1-((3S,3aR,5R,7aS)-Octahydro-3-hydroxy-7a-methyl-5-(1-methylethenyl)-3aH-inden-3a-yl)ethanone
CID 5316283
15alpha-Hydroxy-14-aldehyde probotryan-4
CID 21778025
1-[(3aR,5R)-3-hydroxy-7a-methyl-5-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone
CID 134945387
(4R,5S,7S,8R,11S)-5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
CID 11253310
3-(1-Hydroxyprop-2-enyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 69974467
5-(1-Hydroxyprop-2-enyl)-6,6-dimethylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 88440006
(1S,4S)-3-(1-hydroxybut-3-enyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 10513243
5-Hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
CID 72770652
(1R,2R,2'S,3R,4R,7S)-7-ethenyl-2-hydroxy-2'-methoxyspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-1-carbaldehyde
CID 101212249
3-(7-Methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)propanal
CID 162826072
3-[(1S,2S,4R,7R)-7-methoxy-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]propanal
CID 162826073

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde?
The IUPAC name of (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde (CID 163093890) is (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde.
What is the SMILES notation for (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde?
The canonical SMILES for (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde is C=C1[C@H]2CC[C@](C=O)([C@@H]2O)C1(C)C.
What is the InChIKey of (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde?
The InChIKey is ZODZTNJOESLXCW-KKZNHRDASA-N. The full InChI is InChI=1S/C11H16O2/c1-7-8-4-5-11(6-12,9(8)13)10(7,2)3/h6,8-9,13H,1,4-5H2,2-3H3/t8-,9-,11+/m1/s1.
What are the key properties of (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde?
(1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7R)-7-hydroxy-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carbaldehyde is sourced from PubChem (CID 163093890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).