methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

C15H24O4 — CID 56595627

IUPACmethyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@@]1(CC1OCCO1)C(=O)OC
InChIInChI=1S/C15H24O4/c1-10(2)12-6-5-11(3)15(12,14(16)17-4)9-13-18-7-8-19-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,15-/m1/s1
InChIKeyNVFKRSAMIZYORT-LALPHHSUSA-N
MW268.35 g/mol
LogP2.53
Rot. Bonds4

About methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 56595627) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID56595627
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@@]1(CC1OCCO1)C(=O)OC
InChIInChI=1S/C15H24O4/c1-10(2)12-6-5-11(3)15(12,14(16)17-4)9-13-18-7-8-19-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,15-/m1/s1
InChIKeyNVFKRSAMIZYORT-LALPHHSUSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
CID 56595628
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylenecyclopentanecarboxylate
CID 538045
Cyclopentanecarboxylic acid, 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylene-, methyl ester, trans-S,S,S-
CID 59039565
cis-methyl (1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 134900634
Methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylenecyclopentanecarboxylate
CID 539518
(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
CID 56595626
trans-methyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 13511428
trans-methyl (1S,2S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylidenecyclopentane-1-carboxylate
CID 22212853
Oxolan-2-yl 2-methylbicyclo[2.2.1]hept-4-ene-2-carboxylate
CID 23513506
cis-methyl (1R,2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylidenecyclopentane-1-carboxylate
CID 57172771
Methyl 2-(1-methoxyethoxymethyl)-1-methyl-3-methylidenecyclopentane-1-carboxylate
CID 69546448
cis-methyl (1R,2S)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylidenecyclopentane-1-carboxylate
CID 70029966

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 56595627) is methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@H]1CC[C@@H](C)[C@@]1(CC1OCCO1)C(=O)OC.
What is the InChIKey of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is NVFKRSAMIZYORT-LALPHHSUSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(2)12-6-5-11(3)15(12,14(16)17-4)9-13-18-7-8-19-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,15-/m1/s1.
What are the key properties of methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 56595627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).