7-cyclopropylheptyl (E)-3-phenylprop-2-enoate

C19H26O2 — CID 21445840

IUPAC7-cyclopropylheptyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCCCCCCCC1CC1
InChIInChI=1S/C19H26O2/c20-19(15-14-17-9-6-4-7-10-17)21-16-8-3-1-2-5-11-18-12-13-18/h4,6-7,9-10,14-15,18H,1-3,5,8,11-13,16H2/b15-14+
InChIKeyJWJLZDKCEQFSFK-CCEZHUSRSA-N
MW286.41 g/mol
LogP4.99
Rot. Bonds10

About 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate

7-cyclopropylheptyl (E)-3-phenylprop-2-enoate (PubChem CID 21445840) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name7-cyclopropylheptyl (E)-3-phenylprop-2-enoate
PubChem CID21445840
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name7-cyclopropylheptyl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OCCCCCCCC1CC1
InChIInChI=1S/C19H26O2/c20-19(15-14-17-9-6-4-7-10-17)21-16-8-3-1-2-5-11-18-12-13-18/h4,6-7,9-10,14-15,18H,1-3,5,8,11-13,16H2/b15-14+
InChIKeyJWJLZDKCEQFSFK-CCEZHUSRSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxypentyl 3-phenylprop-2-enoate
CID 71335867
4-[8-(3-phenylprop-2-enoyloxy)octoxycarbonyl]cyclohexane-1-carboxylic acid
CID 121346814
6-aminohexyl (E)-3-phenylprop-2-enoate;hydrochloride
CID 19066595
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 106202755
14-methylpentadecyl 3-phenylprop-2-enoate
CID 141090504
3-prop-2-enoyloxypropyl 3-phenylprop-2-enoate
CID 70566588
4-(dimethylamino)butyl (E)-3-phenylprop-2-enoate
CID 21249779
4-(dimethylamino)butyl 3-phenylprop-2-enoate
CID 70229404
3-phenylprop-2-enyl 9-cyclopropylnonanoate
CID 54535707
3-[dichloro-[3-[(E)-3-phenylprop-2-enoyl]oxypropyl]-λ4-selanyl]propyl (E)-3-phenylprop-2-enoate
CID 134925812

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate?
The IUPAC name of 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate (CID 21445840) is 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OCCCCCCCC1CC1.
What is the InChIKey of 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate?
The InChIKey is JWJLZDKCEQFSFK-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H26O2/c20-19(15-14-17-9-6-4-7-10-17)21-16-8-3-1-2-5-11-18-12-13-18/h4,6-7,9-10,14-15,18H,1-3,5,8,11-13,16H2/b15-14+.
What are the key properties of 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate?
7-cyclopropylheptyl (E)-3-phenylprop-2-enoate has a molecular weight of 286.41 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylheptyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 21445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).