[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate

C14H20O2 — CID 135038330

IUPAC[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate
SMILESCC(=O)O[C@@H]1C(C=C(C)C)=CC2CCC1C2
InChIInChI=1S/C14H20O2/c1-9(2)6-13-8-11-4-5-12(7-11)14(13)16-10(3)15/h6,8,11-12,14H,4-5,7H2,1-3H3/t11?,12?,14-/m0/s1
InChIKeyIKUDITXLLVHFEN-YIZWMMSDSA-N
MW220.31 g/mol
LogP3.24
Rot. Bonds2

About [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate

[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate (PubChem CID 135038330) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate.

Molecular Properties

Compound Name[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate
PubChem CID135038330
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate
SMILESCC(=O)O[C@@H]1C(C=C(C)C)=CC2CCC1C2
InChIInChI=1S/C14H20O2/c1-9(2)6-13-8-11-4-5-12(7-11)14(13)16-10(3)15/h6,8,11-12,14H,4-5,7H2,1-3H3/t11?,12?,14-/m0/s1
InChIKeyIKUDITXLLVHFEN-YIZWMMSDSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8347
L-carvenyl acetate
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3-butan-2-yl-4,5-dihydro-3H-2-benzofuran-1-one
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1-[(4R)-4-methylcyclohexen-1-yl]ethyl propanoate
CID 139467881
1-[(4R)-4-methylcyclohexen-1-yl]ethyl acetate
CID 155434997
acetyloxy-[(1S,4R,5S,6S)-4-methoxy-6-bicyclo[3.2.1]oct-2-enyl]mercury
CID 134981422
acetyloxy-[(1R,2S,5R,6R)-2-methoxy-6-bicyclo[3.2.1]oct-3-enyl]mercury
CID 134981569
[(2S)-2-acetyloxy-7-(acetyloxymethyl)-3-(2-methylprop-1-enyl)-6-bicyclo[3.2.1]octa-3,6-dienyl]methyl acetate
CID 135012891
[(2S)-6,7-bis(methoxycarbonyloxymethyl)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]octa-3,6-dienyl] acetate
CID 135012892
[(2S)-8-[(2-methylpropan-2-yl)oxy]-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]octa-3,6-dienyl] acetate
CID 135013041
[3-(Cyclohexylidenemethyl)-2-bicyclo[3.2.1]octa-3,6-dienyl] acetate
CID 135038307
[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]octa-3,6-dienyl] acetate
CID 135038314

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate?
The IUPAC name of [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate (CID 135038330) is [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate.
What is the SMILES notation for [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate?
The canonical SMILES for [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate is CC(=O)O[C@@H]1C(C=C(C)C)=CC2CCC1C2.
What is the InChIKey of [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate?
The InChIKey is IKUDITXLLVHFEN-YIZWMMSDSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)6-13-8-11-4-5-12(7-11)14(13)16-10(3)15/h6,8,11-12,14H,4-5,7H2,1-3H3/t11?,12?,14-/m0/s1.
What are the key properties of [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate?
[(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate has a molecular weight of 220.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(2-methylprop-1-enyl)-2-bicyclo[3.2.1]oct-3-enyl] acetate is sourced from PubChem (CID 135038330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).