3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate

C16H28O2 — CID 59289014

IUPAC3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1CCC(CCC)CC1
InChIInChI=1S/C16H28O2/c1-4-6-14-8-10-15(11-9-14)7-5-12-18-16(17)13(2)3/h14-15H,2,4-12H2,1,3H3
InChIKeyRFWCBPNHWPXNJX-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.49
Rot. Bonds7

About 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate

3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate (PubChem CID 59289014) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
PubChem CID59289014
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC1CCC(CCC)CC1
InChIInChI=1S/C16H28O2/c1-4-6-14-8-10-15(11-9-14)7-5-12-18-16(17)13(2)3/h14-15H,2,4-12H2,1,3H3
InChIKeyRFWCBPNHWPXNJX-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.49
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

(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
CID 139896779
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728
2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
CID 123204528
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate (CID 59289014) is 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC1CCC(CCC)CC1.
What is the InChIKey of 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate?
The InChIKey is RFWCBPNHWPXNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-6-14-8-10-15(11-9-14)7-5-12-18-16(17)13(2)3/h14-15H,2,4-12H2,1,3H3.
What are the key properties of 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate?
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate has a molecular weight of 252.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 59289014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).