ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate

C17H28O4 — CID 135077407

IUPACethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate
SMILESCCOC(=O)/C=C\[C@H](OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C17H28O4/c1-2-19-16(18)12-11-15(14-8-4-3-5-9-14)21-17-10-6-7-13-20-17/h11-12,14-15,17H,2-10,13H2,1H3/b12-11-/t15-,17?/m0/s1
InChIKeyRBQXQPRSHWDSCS-NKVMLYNHSA-N
MW296.41 g/mol
LogP3.60
Rot. Bonds6

About ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate

ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate (PubChem CID 135077407) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate
PubChem CID135077407
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Nameethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate
SMILESCCOC(=O)/C=C\[C@H](OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C17H28O4/c1-2-19-16(18)12-11-15(14-8-4-3-5-9-14)21-17-10-6-7-13-20-17/h11-12,14-15,17H,2-10,13H2,1H3/b12-11-/t15-,17?/m0/s1
InChIKeyRBQXQPRSHWDSCS-NKVMLYNHSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[(2S,4R,6S)-6-hexyl-2-propan-2-yl-1,3-dioxan-4-yl]prop-2-enoate
CID 10519209
Ethyl (2e,5s)-6-[(4r)-2,2-dimethyl-1,3-dioxan-4-yl]-5-methylhex-2-enoate
CID 129758290
[(3S,6S)-3-acetyloxy-6-(cyclohexylmethoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 134842719
ethyl (E,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate
CID 135005484
ethyl (E,4R)-4-cyclohexyl-4-(2-methoxyethoxymethoxy)but-2-enoate
CID 135006288
2-[(6-Pentyl-1,3-dioxan-4-yl)methyl]-2,3-dihydropyran-6-one
CID 135039578
ethyl (Z,4R)-4-cyclohexyl-4-(2-methoxyethoxymethoxy)but-2-enoate
CID 135077406
methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate
CID 10731795
methyl (2E,4S,6R)-4-acetyloxy-6-(2,2-dimethoxyethyl)-3,7-dimethylocta-2,7-dienoate
CID 11438868
methyl (E)-4-(oxan-2-yloxy)non-2-enoate
CID 60169689
ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate
CID 13264570
1-[1-[6-(Oxan-2-yloxy)hexyl]cyclopent-3-en-1-yl]oct-1-en-3-yl acetate
CID 53805553

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate?
The IUPAC name of ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate (CID 135077407) is ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate.
What is the SMILES notation for ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate?
The canonical SMILES for ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate is CCOC(=O)/C=C\[C@H](OC1CCCCO1)C1CCCCC1.
What is the InChIKey of ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate?
The InChIKey is RBQXQPRSHWDSCS-NKVMLYNHSA-N. The full InChI is InChI=1S/C17H28O4/c1-2-19-16(18)12-11-15(14-8-4-3-5-9-14)21-17-10-6-7-13-20-17/h11-12,14-15,17H,2-10,13H2,1H3/b12-11-/t15-,17?/m0/s1.
What are the key properties of ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate?
ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate has a molecular weight of 296.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate is sourced from PubChem (CID 135077407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).