(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde

C10H16O — CID 100930208

IUPAC(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde
SMILESCC1(C)C[C@@H]2[C@H](C=O)[C@]2(C)C1
InChIInChI=1S/C10H16O/c1-9(2)4-7-8(5-11)10(7,3)6-9/h5,7-8H,4,6H2,1-3H3/t7-,8+,10-/m1/s1
InChIKeyFXGSRIJECSIDNX-KHQFGBGNSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds1

About (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde

(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde (PubChem CID 100930208) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde.

Molecular Properties

Compound Name(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde
PubChem CID100930208
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde
SMILESCC1(C)C[C@@H]2[C@H](C=O)[C@]2(C)C1
InChIInChI=1S/C10H16O/c1-9(2)4-7-8(5-11)10(7,3)6-9/h5,7-8H,4,6H2,1-3H3/t7-,8+,10-/m1/s1
InChIKeyFXGSRIJECSIDNX-KHQFGBGNSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2,5,5-tetramethyloxolane-3-carbaldehyde
CID 79934388
(2R)-4,4-dimethyloxolane-2-carbaldehyde
CID 129451617
2-[(1S,3R)-3-formyl-2,2-dimethylcyclopropyl]acetic acid
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2,2,3,6-tetramethylcyclohexane-1-carbaldehyde
CID 18791057
3,3-dimethylaziridine-2-carbaldehyde
CID 143355419
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
CID 91731723
2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
CID 10910494
3-(2,2-dimethylcyclopropyl)prop-2-enal
CID 88727761
(1S,2S,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carbaldehyde
CID 14106834
11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
CID 85157604

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde?
The IUPAC name of (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde (CID 100930208) is (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde.
What is the SMILES notation for (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde?
The canonical SMILES for (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde is CC1(C)C[C@@H]2[C@H](C=O)[C@]2(C)C1.
What is the InChIKey of (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde?
The InChIKey is FXGSRIJECSIDNX-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)4-7-8(5-11)10(7,3)6-9/h5,7-8H,4,6H2,1-3H3/t7-,8+,10-/m1/s1.
What are the key properties of (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde?
(1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-1,3,3-trimethylbicyclo[3.1.0]hexane-6-carbaldehyde is sourced from PubChem (CID 100930208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).