(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate

C19H26O2 — CID 56687711

IUPAC(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate
SMILESCC1CC(OC(=O)/C=C/c2ccccc2)CC(C(C)C)C1
InChIInChI=1S/C19H26O2/c1-14(2)17-11-15(3)12-18(13-17)21-19(20)10-9-16-7-5-4-6-8-16/h4-10,14-15,17-18H,11-13H2,1-3H3/b10-9+
InChIKeyWWJKYWBSQBBYQA-MDZDMXLPSA-N
MW286.42 g/mol
LogP4.70
Rot. Bonds4

About (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate

(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate (PubChem CID 56687711) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate
PubChem CID56687711
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate
SMILESCC1CC(OC(=O)/C=C/c2ccccc2)CC(C(C)C)C1
InChIInChI=1S/C19H26O2/c1-14(2)17-11-15(3)12-18(13-17)21-19(20)10-9-16-7-5-4-6-8-16/h4-10,14-15,17-18H,11-13H2,1-3H3/b10-9+
InChIKeyWWJKYWBSQBBYQA-MDZDMXLPSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-phenylprop-2-enoate
CID 7053810
(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422
[(1S,3S,5R,6S)-6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-phenylprop-2-enoate
CID 14413726
bis(3,5-dimethylcyclohexyl) (Z)-but-2-enedioate
CID 154928944
(1-formylpiperidin-4-yl) (E)-3-phenylprop-2-enoate
CID 75443536
oxolan-3-yl 3-phenylprop-2-enoate
CID 162506502
(3-methyl-5-propan-2-ylcyclohexyl) 2-hydroxypropanoate
CID 57120785
(2,3,5-trihydroxy-6-methyloxan-4-yl) 3-phenylprop-2-enoate
CID 162871420
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
(3,3,5-trimethylcyclohexyl) (E)-3-(3-aminophenyl)prop-2-enoate
CID 115340459
tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
CID 11174213
(3,4-dimethylcyclohexyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342533

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate?
The IUPAC name of (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate (CID 56687711) is (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate.
What is the SMILES notation for (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate?
The canonical SMILES for (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate is CC1CC(OC(=O)/C=C/c2ccccc2)CC(C(C)C)C1.
What is the InChIKey of (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate?
The InChIKey is WWJKYWBSQBBYQA-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H26O2/c1-14(2)17-11-15(3)12-18(13-17)21-19(20)10-9-16-7-5-4-6-8-16/h4-10,14-15,17-18H,11-13H2,1-3H3/b10-9+.
What are the key properties of (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate?
(3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate has a molecular weight of 286.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-ylcyclohexyl) (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 56687711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).