trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde

C11H18O — CID 131160822

IUPACtrans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
SMILESC=C(C)[C@@H]1CCC(C)(C)[C@@H]1C=O
InChIInChI=1S/C11H18O/c1-8(2)9-5-6-11(3,4)10(9)7-12/h7,9-10H,1,5-6H2,2-4H3/t9-,10+/m0/s1
InChIKeyAEPUVDUCMZWGKY-VHSXEESVSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds2

About trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde

trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde (PubChem CID 131160822) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
PubChem CID131160822
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nametrans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
SMILESC=C(C)[C@@H]1CCC(C)(C)[C@@H]1C=O
InChIInChI=1S/C11H18O/c1-8(2)9-5-6-11(3,4)10(9)7-12/h7,9-10H,1,5-6H2,2-4H3/t9-,10+/m0/s1
InChIKeyAEPUVDUCMZWGKY-VHSXEESVSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 102109585
(1S,2S,4aR,8R,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
CID 12978159
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020044
[(1S,2R,3R)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CID 3086398
[(1R,2S,3S)-1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl] acetate
CID 70179053
(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
CID 21156163
(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
CID 53310182
3-bromo-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 175178027
(3R,3aS,8aR)-6,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,3a,4,8-hexahydroazulen-5-one
CID 125181476
(1S,2R,5S,8R,9S,10S,13S,14R,15S,16S,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
CID 162908089
(1R,2R,5S,8R,14R,15S,16R,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
CID 15958447
(1S,2S,5R,8R,9S,10S,13R,14R,15S,16S,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
CID 99567676

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde (CID 131160822) is trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde is C=C(C)[C@@H]1CCC(C)(C)[C@@H]1C=O.
What is the InChIKey of trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
The InChIKey is AEPUVDUCMZWGKY-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)9-5-6-11(3,4)10(9)7-12/h7,9-10H,1,5-6H2,2-4H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde?
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 131160822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).