cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate

C19H26O2 — CID 10957101

IUPACcis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
SMILESCC(C)C(OC(=O)[C@H]1C[C@@H]1/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C19H26O2/c1-13(2)18(14(3)4)21-19(20)17-12-16(17)11-10-15-8-6-5-7-9-15/h5-11,13-14,16-18H,12H2,1-4H3/b11-10+/t16-,17-/m0/s1
InChIKeyANYWVWLSJIRBEP-YOIRJEGESA-N
MW286.42 g/mol
LogP4.56
Rot. Bonds6

About cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate

cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate (PubChem CID 10957101) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
PubChem CID10957101
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Namecis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
SMILESCC(C)C(OC(=O)[C@H]1C[C@@H]1/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C19H26O2/c1-13(2)18(14(3)4)21-19(20)17-12-16(17)11-10-15-8-6-5-7-9-15/h5-11,13-14,16-18H,12H2,1-4H3/b11-10+/t16-,17-/m0/s1
InChIKeyANYWVWLSJIRBEP-YOIRJEGESA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl (1R,2S,3R,4S,5R)-5-[(E)-2-phenylethenyl]-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11726828
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
methyl 2-[(Z)-3-methyl-3-phenylbut-1-enyl]cyclopropane-1-carboxylate
CID 174569154
phenyl-[2-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopropyl]methanone
CID 134887905
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 71399566
2,4-dimethylpentan-3-yl (5R)-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 10881194
(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034

Frequently Asked Questions

What is the IUPAC name of cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate (CID 10957101) is cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate is CC(C)C(OC(=O)[C@H]1C[C@@H]1/C=C/c1ccccc1)C(C)C.
What is the InChIKey of cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
The InChIKey is ANYWVWLSJIRBEP-YOIRJEGESA-N. The full InChI is InChI=1S/C19H26O2/c1-13(2)18(14(3)4)21-19(20)17-12-16(17)11-10-15-8-6-5-7-9-15/h5-11,13-14,16-18H,12H2,1-4H3/b11-10+/t16-,17-/m0/s1.
What are the key properties of cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate?
cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-2,4-dimethylpentan-3-yl (1S,2R)-2-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10957101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).