(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde

C10H14O2 — CID 162919839

IUPAC(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
SMILESCC1(C)[C@@H]2C(C=O)=CC[C@H]1[C@H]2O
InChIInChI=1S/C10H14O2/c1-10(2)7-4-3-6(5-11)8(10)9(7)12/h3,5,7-9,12H,4H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyGOQNKTANMSZXTF-DJLDLDEBSA-N
MW166.22 g/mol
LogP1.15
Rot. Bonds1

About (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde

(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde (PubChem CID 162919839) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde.

Molecular Properties

Compound Name(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
PubChem CID162919839
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
SMILESCC1(C)[C@@H]2C(C=O)=CC[C@H]1[C@H]2O
InChIInChI=1S/C10H14O2/c1-10(2)7-4-3-6(5-11)8(10)9(7)12/h3,5,7-9,12H,4H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyGOQNKTANMSZXTF-DJLDLDEBSA-N
XLogP1.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 71366452
acetic acid;2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
CID 53446902
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 1201529
(1S,2R,3R,7S)-8,8-dimethyl-2-(3-oxoprop-1-en-2-yl)bicyclo[5.1.0]oct-4-ene-3,4-dicarbaldehyde
CID 101259978
6-hydroxy-4-methylcyclohexene-1-carbaldehyde
CID 73020671
(3S,3aS,6aS,10S,10aS)-3,10-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
CID 163080473
8-hydroxy-6,8a-dimethyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
CID 72998777
(1R,2Z,6E,10E,14S)-4-hydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
CID 10638118
(1R,4aS,8aS)-1-(1,3-dioxolan-2-yl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
CID 122367676
(4R,5R,7S,8R,11S)-5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
CID 163065963
2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid
CID 21496333
(3aR,4S,5S,8R,8aR)-4-hydroxy-5-(hydroxymethyl)-2,2,8-trimethyl-3,3a,4,5,8,8a-hexahydro-1H-azulene-6-carbaldehyde
CID 14412874

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde?
The IUPAC name of (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde (CID 162919839) is (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde.
What is the SMILES notation for (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde?
The canonical SMILES for (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde is CC1(C)[C@@H]2C(C=O)=CC[C@H]1[C@H]2O.
What is the InChIKey of (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde?
The InChIKey is GOQNKTANMSZXTF-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2)7-4-3-6(5-11)8(10)9(7)12/h3,5,7-9,12H,4H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde?
(1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R)-7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde is sourced from PubChem (CID 162919839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).