6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate

C15H24O3 — CID 89376003

IUPAC6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC1C[C@@H]1C(C)=O
InChIInChI=1S/C15H24O3/c1-11(2)15(17)18-9-7-5-4-6-8-13-10-14(13)12(3)16/h13-14H,1,4-10H2,2-3H3/t13?,14-/m1/s1
InChIKeyTVAFSBZZSULJCQ-ARLHGKGLSA-N
MW252.35 g/mol
LogP3.28
Rot. Bonds9

About 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate

6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate (PubChem CID 89376003) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
PubChem CID89376003
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC1C[C@@H]1C(C)=O
InChIInChI=1S/C15H24O3/c1-11(2)15(17)18-9-7-5-4-6-8-13-10-14(13)12(3)16/h13-14H,1,4-10H2,2-3H3/t13?,14-/m1/s1
InChIKeyTVAFSBZZSULJCQ-ARLHGKGLSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
4-(4-methoxycyclohexyl)butyl 2-methylprop-2-enoate
CID 139896779
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 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 164995054
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
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
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
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl 2-methylprop-2-enoate
CID 87233020

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate (CID 89376003) is 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCC1C[C@@H]1C(C)=O.
What is the InChIKey of 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate?
The InChIKey is TVAFSBZZSULJCQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)15(17)18-9-7-5-4-6-8-13-10-14(13)12(3)16/h13-14H,1,4-10H2,2-3H3/t13?,14-/m1/s1.
What are the key properties of 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate?
6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-acetylcyclopropyl]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 89376003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).