[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate

C12H20O2 — CID 102064475

IUPAC[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
SMILESC=C(C)C1CCC(C)[C@H](OC(C)=O)C1
InChIInChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9?,11?,12-/m1/s1
InChIKeyTUSIZTVSUSBSQI-QEWOUOOISA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds2

About [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate

[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate (PubChem CID 102064475) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate.

Molecular Properties

Compound Name[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
PubChem CID102064475
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
SMILESC=C(C)C1CCC(C)[C@H](OC(C)=O)C1
InChIInChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9?,11?,12-/m1/s1
InChIKeyTUSIZTVSUSBSQI-QEWOUOOISA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,5S,7R,8R,12S)-7-acetyloxy-2,8,12-trimethyl-10-oxo-5-prop-1-en-2-ylcyclotetradecyl] acetate
CID 163046380
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
[(1S,2S,5S,6R)-6-methyl-2-bicyclo[3.3.1]nonanyl] acetate
CID 3086252
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
cis-(3S,5R)-3,5-diacetyloxy-4-methylcyclohexane-1-carboxylic acid
CID 101093192
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
[(1S,2R,3R,4R,5R)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate
CID 170294536
[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
CID 126664181
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate?
The IUPAC name of [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate (CID 102064475) is [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate.
What is the SMILES notation for [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate?
The canonical SMILES for [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate is C=C(C)C1CCC(C)[C@H](OC(C)=O)C1.
What is the InChIKey of [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate?
The InChIKey is TUSIZTVSUSBSQI-QEWOUOOISA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9?,11?,12-/m1/s1.
What are the key properties of [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate?
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate is sourced from PubChem (CID 102064475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).